1H-Cyclonona[1,2-c:5,6-c']difuran-1,3,6,8(4H)-tetrone,10-[(R)-[(2R)-3,6-dihydro-6-oxo-2H-pyran-2-yl]hydroxymethyl]-5,9,10,11-tetrahydro-4-hydroxy-5-[(1S)-1-hydroxyheptyl]-,(4S,5R,10R)-rel-(+)-

Modify Date: 2024-01-10 18:23:53

1H-Cyclonona[1,2-c:5,6-c']difuran-1,3,6,8(4H)-tetrone,10-[(R)-[(2R)-3,6-dihydro-6-oxo-2H-pyran-2-yl]hydroxymethyl]-5,9,10,11-tetrahydro-4-hydroxy-5-[(1S)-1-hydroxyheptyl]-,(4S,5R,10R)-rel-(+)- Structure
1H-Cyclonona[1,2-c:5,6-c']difuran-1,3,6,8(4H)-tetrone,10-[(R)-[(2R)-3,6-dihydro-6-oxo-2H-pyran-2-yl]hydroxymethyl]-5,9,10,11-tetrahydro-4-hydroxy-5-[(1S)-1-hydroxyheptyl]-,(4S,5R,10R)-rel-(+)- structure
Common Name 1H-Cyclonona[1,2-c:5,6-c']difuran-1,3,6,8(4H)-tetrone,10-[(R)-[(2R)-3,6-dihydro-6-oxo-2H-pyran-2-yl]hydroxymethyl]-5,9,10,11-tetrahydro-4-hydroxy-5-[(1S)-1-hydroxyheptyl]-,(4S,5R,10R)-rel-(+)-
CAS Number 21794-01-4 Molecular Weight 518.51
Density 1.45g/cm3 Boiling Point 807.4ºC at 760mmHg
Molecular Formula C26H30O11 Melting Point 176ºC
MSDS N/A Flash Point 271.8ºC

 Use of 1H-Cyclonona[1,2-c:5,6-c']difuran-1,3,6,8(4H)-tetrone,10-[(R)-[(2R)-3,6-dihydro-6-oxo-2H-pyran-2-yl]hydroxymethyl]-5,9,10,11-tetrahydro-4-hydroxy-5-[(1S)-1-hydroxyheptyl]-,(4S,5R,10R)-rel-(+)-


Rubratoxin B is a hepatotoxic mycotoxin that can be found in Penicillium rubrum Stoll. Rubratoxin B shows antitumor activity[1][2].

 Names

Name rubratoxin b

  Biological Activity

Description Rubratoxin B is a hepatotoxic mycotoxin that can be found in Penicillium rubrum Stoll. Rubratoxin B shows antitumor activity[1][2].
Related Catalog
References

[1]. Moss MO, et al. Rubratoxin B, a proposed structure for a bis-anhydride rom Penicillium rubrum Stoll. Nature. 1968 Nov 23;220(5169):767-70.  

[2]. Fimiani V, et al. Antitumor effect of a mycotoxin: rubratoxin B. Chemotherapy. 1993;39(1):59-62.  

 Chemical & Physical Properties

Density 1.45g/cm3
Boiling Point 807.4ºC at 760mmHg
Melting Point 176ºC
Molecular Formula C26H30O11
Molecular Weight 518.51
Flash Point 271.8ºC
Exact Mass 518.17900
PSA 173.73000
LogP 0.69740
Vapour Pressure 0mmHg at 25°C
Index of Refraction 1.608

 MSDS

Name: Rubratoxin B Material Safety Data Sheet
Synonym:
CAS: 21794-01-4
Section 1 - Chemical Product MSDS Name:Rubratoxin B Material Safety Data Sheet
Synonym:

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
21794-01-4 Rubratoxin B ca 100 244-582-6
Hazard Symbols: T
Risk Phrases: 23/24/25

Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
Toxic by inhalation, in contact with skin and if swallowed.
Potential Health Effects
Eye:
May cause eye irritation.
Skin:
May cause skin irritation.
Ingestion:
Harmful if swallowed. May cause gastrointestinal irritation with nausea, vomiting and diarrhea. May cause liver damage. May cause spleen damage.
Inhalation:
May cause respiratory tract irritation.
Chronic:
Chronic ingestion may cause liver damage. Repeated exposure may cause damage to the spleen. Adverse reproductive effects have been reported in animals.

Section 4 - FIRST AID MEASURES
Eyes: Flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid.
Skin:
Get medical aid. Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes. Wash clothing before reuse.
Ingestion:
Never give anything by mouth to an unconscious person. Get medical aid. Do NOT induce vomiting. If conscious and alert, rinse mouth and drink 2-4 cupfuls of milk or water.
Inhalation:
Remove from exposure and move to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Get medical aid.
Notes to Physician:

Section 5 - FIRE FIGHTING MEASURES
General Information:
As in any fire, wear a self-contained breathing apparatus in pressure-demand, MSHA/NIOSH (approved or equivalent), and full protective gear. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion.
Extinguishing Media:
Use agent most appropriate to extinguish fire. Use water spray, dry chemical, carbon dioxide, or appropriate foam.

Section 6 - ACCIDENTAL RELEASE MEASURES
General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Vacuum or sweep up material and place into a suitable disposal container. Clean up spills immediately, observing precautions in the Protective Equipment section. Avoid generating dusty conditions.
Provide ventilation.

Section 7 - HANDLING and STORAGE
Handling:
Wash thoroughly after handling. Use with adequate ventilation.
Minimize dust generation and accumulation. Avoid contact with eyes, skin, and clothing. Keep container tightly closed. Avoid ingestion and inhalation.
Storage:
Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances. Keep refrigerated. (Store below 4C/39F.) Storage under a nitrogen blanket has been recommended.

Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
Engineering Controls:
Facilities storing or utilizing this material should be equipped with an eyewash facility and a safety shower. Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 21794-01-4: Personal Protective Equipment Eyes: Wear appropriate protective eyeglasses or chemical safety goggles as described by OSHA's eye and face protection regulations in 29 CFR 1910.133 or European Standard EN166.
Skin:
Wear appropriate protective gloves to prevent skin exposure.
Clothing:
Wear appropriate protective clothing to prevent skin exposure.
Respirators:
A respiratory protection program that meets OSHA's 29 CFR 1910.134 and ANSI Z88.2 requirements or European Standard EN 149 must be followed whenever workplace conditions warrant respirator use.

Section 9 - PHYSICAL AND CHEMICAL PROPERTIES

Physical State: Powder
Color: white
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 170-171C
Autoignition Temperature: Not applicable.
Flash Point: Not applicable.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water: Partially soluble.
Specific Gravity/Density:
Molecular Formula: C26H30O11
Molecular Weight: 518.52

Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Stable at room temperature in closed containers under normal storage and handling conditions.
Conditions to Avoid:
Incompatible materials, dust generation, excess heat.
Incompatibilities with Other Materials:
Strong acids, strong bases, strong oxidizing agents.
Hazardous Decomposition Products:
Carbon monoxide, irritating and toxic fumes and gases, carbon dioxide.
Hazardous Polymerization: Has not been reported

Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 21794-01-4: GX9275000 LD50/LC50:
CAS# 21794-01-4: Oral, rat: LD50 = 400 mg/kg.
Carcinogenicity:
Rubratoxin B - Not listed by ACGIH, IARC, or NTP.
Other:
See actual entry in RTECS for complete information.

Section 12 - ECOLOGICAL INFORMATION


Section 13 - DISPOSAL CONSIDERATIONS
Dispose of in a manner consistent with federal, state, and local regulations.

Section 14 - TRANSPORT INFORMATION

IATA
Shipping Name: TOXIC SOLID, ORGANIC, N.O.S.*
Hazard Class: 6.1
UN Number: 2811
Packing Group: III
IMO
Shipping Name: TOXIC SOLID, ORGANIC, N.O.S.
Hazard Class: 6.1
UN Number: 2811
Packing Group: III
RID/ADR
Shipping Name: TOXIC SOLID, ORGANIC, N.O.S.
Hazard Class: 6.1
UN Number: 2811
Packing group: III

Section 15 - REGULATORY INFORMATION

European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: T
Risk Phrases:
R 23/24/25 Toxic by inhalation, in contact with skin
and if swallowed.
Safety Phrases:
S 24/25 Avoid contact with skin and eyes.
S 28A After contact with skin, wash immediately with
plenty of water.
S 37 Wear suitable gloves.
S 45 In case of accident or if you feel unwell, seek
medical advice immediately (show the label where
possible).
WGK (Water Danger/Protection)
CAS# 21794-01-4: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 21794-01-4 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 21794-01-4 is not listed on the TSCA inventory.
It is for research and development use only.


SECTION 16 - ADDITIONAL INFORMATION
N/A

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
GX9275000
CAS REGISTRY NUMBER :
21794-01-4
LAST UPDATED :
199612
DATA ITEMS CITED :
33
MOLECULAR FORMULA :
C26-H30-O11
MOLECULAR WEIGHT :
518.56
WISWESSER LINE NOTATION :
T D595 EVOV MVOV&T&J BQ CYQ6 JYQ- FT6OV CUTJ

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
400 mg/kg
TOXIC EFFECTS :
Blood - hemorrhage
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
360 ug/kg
TOXIC EFFECTS :
Blood - hemorrhage
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
270 ug/kg
TOXIC EFFECTS :
Blood - hemorrhage
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
6800 ug/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Unreported
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
5600 ug/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Mammal - dog
DOSE/DURATION :
500 ug/kg
TOXIC EFFECTS :
Behavioral - somnolence (general depressed activity) Behavioral - food intake (animal) Nutritional and Gross Metabolic - dehydration
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Mammal - cat
DOSE/DURATION :
200 ug/kg
TOXIC EFFECTS :
Blood - hemorrhage
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - guinea pig
DOSE/DURATION :
480 ug/kg
TOXIC EFFECTS :
Blood - hemorrhage
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - hamster
DOSE/DURATION :
400 ug/kg
TOXIC EFFECTS :
Behavioral - excitement Lungs, Thorax, or Respiration - dyspnea Skin and Appendages - hair
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Bird - chicken
DOSE/DURATION :
>4 gm/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - gerbil
DOSE/DURATION :
2 mg/kg
TOXIC EFFECTS :
Behavioral - excitement Lungs, Thorax, or Respiration - dyspnea Skin and Appendages - hair
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
900 mg/kg/60W-I
TOXIC EFFECTS :
Gastrointestinal - hypermotility, diarrhea Liver - hepatitis (hepatocellular necrosis), zonal Related to Chronic Data - death
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
2800 ug/kg/4W-I
TOXIC EFFECTS :
Endocrine - changes in spleen weight Immunological Including Allergic - decrease in cellular immune response Nutritional and Gross Metabolic - weight loss or decreased weight gain
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
1610 ug/kg/7D-I
TOXIC EFFECTS :
Nutritional and Gross Metabolic - weight loss or decreased weight gain Related to Chronic Data - death
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - hamster
DOSE/DURATION :
700 ug/kg/7D-I
TOXIC EFFECTS :
Biochemical - Enzyme inhibition, induction, or change in blood or tissue levels - transaminases Related to Chronic Data - death
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Mammal - species unspecified
DOSE/DURATION :
10500 ug/kg/7D-I
TOXIC EFFECTS :
Liver - other changes Kidney, Ureter, Bladder - changes in tubules (including acute renal failure, acute tubular necrosis) Related to Chronic Data - death
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
DOSE :
100 mg/kg
SEX/DURATION :
female 9 day(s) after conception
TOXIC EFFECTS :
Reproductive - Specific Developmental Abnormalities - Central Nervous System Reproductive - Specific Developmental Abnormalities - body wall
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
DOSE :
100 mg/kg
SEX/DURATION :
female 7 day(s) after conception
TOXIC EFFECTS :
Reproductive - Effects on Embryo or Fetus - fetal death
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Intraperitoneal
DOSE :
400 ug/kg
SEX/DURATION :
female 8 day(s) after conception
TOXIC EFFECTS :
Reproductive - Effects on Embryo or Fetus - fetotoxicity (except death, e.g., stunted fetus) Reproductive - Effects on Embryo or Fetus - fetal death Reproductive - Specific Developmental Abnormalities - Central Nervous System
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Intraperitoneal
DOSE :
400 ug/kg
SEX/DURATION :
female 8 day(s) after conception
TOXIC EFFECTS :
Reproductive - Specific Developmental Abnormalities - eye/ear Reproductive - Specific Developmental Abnormalities - craniofacial (including nose and tongue) Reproductive - Specific Developmental Abnormalities - musculoskeletal system
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Intraperitoneal
DOSE :
600 ug/kg
SEX/DURATION :
female 6 day(s) after conception
TOXIC EFFECTS :
Reproductive - Specific Developmental Abnormalities - cardiovascular (circulatory) system
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Intraperitoneal
DOSE :
400 ug/kg
SEX/DURATION :
female 8 day(s) after conception
TOXIC EFFECTS :
Reproductive - Fertility - post-implantation mortality (e.g. dead and/or resorbed implants per total number of implants) Reproductive - Specific Developmental Abnormalities - body wall
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Unreported
DOSE :
600 ug/kg
SEX/DURATION :
female 6 day(s) after conception
TOXIC EFFECTS :
Reproductive - Specific Developmental Abnormalities - Central Nervous System Reproductive - Specific Developmental Abnormalities - eye/ear Reproductive - Specific Developmental Abnormalities - musculoskeletal system
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Unreported
DOSE :
600 ug/kg
SEX/DURATION :
female 6 day(s) after conception
TOXIC EFFECTS :
Reproductive - Specific Developmental Abnormalities - urogenital system
TYPE OF TEST :
Dominant lethal test

MUTATION DATA

TYPE OF TEST :
Sister chromatid exchange
TEST SYSTEM :
Rodent - hamster Embryo
DOSE/DURATION :
10 mg/L
REFERENCE :
MUREAV Mutation Research. (Elsevier Science Pub. B.V., POB 211, 1000 AE Amsterdam, Netherlands) V.1- 1964- Volume(issue)/page/year: 85,289,1981 *** REVIEWS *** TOXICOLOGY REVIEW MUREAV Mutation Research. (Elsevier Science Pub. B.V., POB 211, 1000 AE Amsterdam, Netherlands) V.1- 1964- Volume(issue)/page/year: 26,225,1974

 Safety Information

Hazard Codes Xn: Harmful;
Risk Phrases 22
RIDADR UN 2811
RTECS GX9275000
Packaging Group III
Hazard Class 6.1(b)