Pentamidine isethionate
Names
[ CAS No. ]:
140-64-7
[ Name ]:
Pentamidine isethionate
[Synonym ]:
4,4'-[pentane-1,5-diylbis(oxy)]dibenzenecarboximidamide bis(2-hydroxyethanesulfonic acid)
2-Hydroxyethanesulfonic Acid compd. with 4,4'-(1,5-Pentanediylbis(oxy))bis(benzenecarboximidamide) (2:1)
2-Hydroxyethanesulfonic acid - 4,4'-[1,5-pentanediylbis(oxy)]dibenzenecarboximidamide (2:1)
Pentamidine isethionate salt
2-Hydroxyethanesulfonic acid - 4,4'-[pentane-1,5-diylbis(oxy)]dibenzenecarboximidamide (2:1)
4,4'-(Pentane-1,5-diylbis(oxy))dibenzimidamide bis(2-hydroxyethanesulfonate)
MFCD00079213
Ethanesulfonic acid, 2-hydroxy-, compd. with 4,4'-[1,5-pentanediylbis(oxy)]bis[benzenecarboximidamide] (2:1)
EINECS 205-424-1
Pentamidine isethionate
4,4'-Diamidino-a,w-diphenoxypentane Isethionate
4,4′-(Pentamethylenedioxy)dibenzamidine bis(2-hydroxyethanesulfonate)
Pentamidine diisetionate
Biological Activity
[Description]:
[Related Catalog]:
[Related Small Molecules]
Chemical & Physical Properties
[ Boiling Point ]:
539.4ºC at 760mmHg
[ Melting Point ]:
188-194 °C(lit.)
[ Molecular Formula ]:
C23H36N4O10S2
[ Molecular Weight ]:
592.683
[ Flash Point ]:
280ºC
[ Exact Mass ]:
592.187256
[ PSA ]:
284.16000
[ LogP ]:
4.37750
[ Vapour Pressure ]:
1.06E-11mmHg at 25°C
[ Storage condition ]:
−20°C
MSDS
Toxicological Information
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- CV6500000
- CHEMICAL NAME :
- Benzamidine, 4,4'-(pentamethylenedioxy)di-, bis(beta-hydroxyethanesulfonate)
- CAS REGISTRY NUMBER :
- 140-64-7
- LAST UPDATED :
- 199603
- DATA ITEMS CITED :
- 13
- MOLECULAR FORMULA :
- C19-H24-N4-O2.C4-H12-O8-S2
- MOLECULAR WEIGHT :
- 592.75
- WISWESSER LINE NOTATION :
- MUYZR DO5OR DYZUM &WSQ2Q 2
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
- TYPE OF TEST :
- TCLo - Lowest published toxic concentration
- ROUTE OF EXPOSURE :
- Inhalation
- SPECIES OBSERVED :
- Human - man
- DOSE/DURATION :
- 21429 ug/kg/5D-I
- TOXIC EFFECTS :
- Endocrine - hypoglycemia Skin and Appendages - sweating
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Intravenous
- SPECIES OBSERVED :
- Human - man
- DOSE/DURATION :
- 24 mg/kg/6D-I
- TOXIC EFFECTS :
- Kidney, Ureter, Bladder - hematuria
- TYPE OF TEST :
- LDLo - Lowest published lethal dose
- ROUTE OF EXPOSURE :
- Intravenous
- SPECIES OBSERVED :
- Human - man
- DOSE/DURATION :
- 68 mg/kg/17D-I
- TOXIC EFFECTS :
- Gastrointestinal - changes in structure or function of endocrine pancreas
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Intramuscular
- SPECIES OBSERVED :
- Human - woman
- DOSE/DURATION :
- 6 mg/kg/D
- TOXIC EFFECTS :
- Blood - hemorrhage Skin and Appendages - dermatitis, other (after systemic exposure)
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Intramuscular
- SPECIES OBSERVED :
- Human - man
- DOSE/DURATION :
- 26 mg/kg/9D-I
- TOXIC EFFECTS :
- Endocrine - hypoglycemia
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 63 mg/kg
- TOXIC EFFECTS :
- Behavioral - convulsions or effect on seizure threshold Lungs, Thorax, or Respiration - other changes
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Subcutaneous
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 120 mg/kg
- TOXIC EFFECTS :
- Behavioral - convulsions or effect on seizure threshold Lungs, Thorax, or Respiration - other changes
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intravenous
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 15100 ug/kg
- TOXIC EFFECTS :
- Behavioral - convulsions or effect on seizure threshold Lungs, Thorax, or Respiration - other changes
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Intravenous
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 756 mg/kg/6W-I
- TOXIC EFFECTS :
- Gastrointestinal - changes in structure or function of endocrine pancreas Liver - changes in liver weight Related to Chronic Data - death
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Intravenous
- SPECIES OBSERVED :
- Mammal - dog
- DOSE/DURATION :
- 112 mg/kg/2W-I
- TOXIC EFFECTS :
- Kidney, Ureter, Bladder - other changes 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 :
- Intravenous
- DOSE :
- 24 mg/kg
- SEX/DURATION :
- female 6-11 day(s) after conception
- TOXIC EFFECTS :
- Reproductive - Fertility - post-implantation mortality (e.g. dead and/or resorbed implants per total number of implants)
MUTATION DATA
- TYPE OF TEST :
- DNA inhibition
- TEST SYSTEM :
- Rodent - mouse Leukocyte
- DOSE/DURATION :
- 29500 ug/L
- REFERENCE :
- INNDDK Investigational New Drugs. The Journal of New Anticancer Agents. Kluwer Academic Pub., POB 358, Accord Stn., Hingham, MA 02018) V.1- 1983- Volume(issue)/page/year: 1,103,1983
Safety Information
[ Symbol ]:
GHS07
[ Signal Word ]:
Warning
[ Hazard Statements ]:
H315-H317-H319-H335
[ Precautionary Statements ]:
P261-P280-P305 + P351 + P338
[ Hazard Codes ]:
Xi:Irritant;
[ Risk Phrases ]:
R36/37/38;R43
[ Safety Phrases ]:
S26-S36/37
[ RIDADR ]:
3249
[ WGK Germany ]:
3
[ RTECS ]:
CV6500000
[ Packaging Group ]:
III
[ Hazard Class ]:
6.1(b)
Synthetic Route
Precursor & DownStream
Precursor
DownStream
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