Estradiol bis[4-[bis(2-chloroethyl)amino]benzeneacetate]

Modify Date: 2024-04-03 11:37:03

Estradiol bis[4-[bis(2-chloroethyl)amino]benzeneacetate] Structure
Estradiol bis[4-[bis(2-chloroethyl)amino]benzeneacetate] structure
Common Name Estradiol bis[4-[bis(2-chloroethyl)amino]benzeneacetate]
CAS Number 22966-79-6 Molecular Weight 788.66900
Density 1.3 Boiling Point 850.8ºC at 760mmHg
Molecular Formula C42H50Cl4N2O4 Melting Point 40-65ºC (freeze dried)
MSDS N/A Flash Point 468.3ºC

 Names

Name [(8R,9S,13S,14S,17S)-3-[2-[4-[bis(2-chloroethyl)amino]phenyl]acetyl]oxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] 2-[4-[bis(2-chloroethyl)amino]phenyl]acetate
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.3
Boiling Point 850.8ºC at 760mmHg
Melting Point 40-65ºC (freeze dried)
Molecular Formula C42H50Cl4N2O4
Molecular Weight 788.66900
Flash Point 468.3ºC
Exact Mass 786.25200
PSA 59.08000
LogP 9.41330
Vapour Pressure 3.43E-28mmHg at 25°C
Index of Refraction 1.625

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
KG7300000
CHEMICAL NAME :
Estra-1,3,5(10)-triene-3,17-beta-diol, bis(p-(bis(2-chloroethylamino)phenyl)acetate)
CAS REGISTRY NUMBER :
22966-79-6
LAST UPDATED :
199701
DATA ITEMS CITED :
9
MOLECULAR FORMULA :
C42-H50-Cl4-N2-O4
MOLECULAR WEIGHT :
788.74
WISWESSER LINE NOTATION :
L E5 B666TTT&J E1 FOV1R DN2G2G& OOV1R DN2G2G

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Mammal - dog
DOSE/DURATION :
560 mg/kg/14D-I
TOXIC EFFECTS :
Gastrointestinal - nausea or vomiting Nutritional and Gross Metabolic - weight loss or decreased weight gain Nutritional and Gross Metabolic - changes in potassium
REFERENCE :
CCYPBY Cancer Chemotherapy Reports, Part 3. (Washington, DC) V.1-6, 1968-75. For publisher information, see CTRRDO. Volume(issue)/page/year: 4,121,1973 ** TUMORIGENIC DATA **
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
2340 mg/kg/52W-I
TOXIC EFFECTS :
Tumorigenic - Carcinogenic by RTECS criteria Lungs, Thorax, or Respiration - tumors Blood - lymphoma, including Hodgkin's disease
REFERENCE :
NCITR* National Cancer Institute Carcinogenesis Technical Report Series. (Bethesda, MD) No.0-205. For publisher information, see NTPTR*. Volume(issue)/page/year: NCI-TR-59,1978
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
480 mg/kg/8W-I
TOXIC EFFECTS :
Tumorigenic - neoplastic by RTECS criteria Lungs, Thorax, or Respiration - tumors
REFERENCE :
CNREA8 Cancer Research. (Public Ledger Building, Suit 816, 6th & Chestnut Sts., Philadelphia, PA 19106) V.1- 1941- Volume(issue)/page/year: 33,3069,1973
TYPE OF TEST :
TD - Toxic dose (other than lowest)
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
4680 mg/kg/1Y-I
TOXIC EFFECTS :
Tumorigenic - Carcinogenic by RTECS criteria Gastrointestinal - tumors Blood - lymphoma, including Hodgkin's disease
REFERENCE :
NCITR* National Cancer Institute Carcinogenesis Technical Report Series. (Bethesda, MD) No.0-205. For publisher information, see NTPTR*. Volume(issue)/page/year: NCI-TR-59,1978 *** REVIEWS *** IARC Cancer Review:Animal Limited Evidence IMEMDT IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man. (WHO Publications Centre USA, 49 Sheridan Ave., Albany, NY 12210) V.1- 1972- Volume(issue)/page/year: 9,217,1975 IARC Cancer Review:Human No Adequate Data IMEMDT IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man. (WHO Publications Centre USA, 49 Sheridan Ave., Albany, NY 12210) V.1- 1972- Volume(issue)/page/year: 9,217,1975 IARC Cancer Review:Group 3 IMSUDL IARC Monographs, Supplement. (WHO Publications Centre USA, 49 Sheridan Ave., Albany, NY 12210) No.1- 1979- Volume(issue)/page/year: 7,56,1987

 Synonyms

Bis((p-(bis(2-chloroethyl)amino)phenyl)acetate)estradiol
Bis((p-(bis(2-chloroethyl)amino)phenyl)acetate)oestradiol
Estradiol mustard
Oestradiol mustard
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