Estradiol bis[4-[bis(2-chloroethyl)amino]benzeneacetate]
Suppliers
Names
[ CAS No. ]:
22966-79-6
[ Name ]:
Estradiol bis[4-[bis(2-chloroethyl)amino]benzeneacetate]
[Synonym ]:
Bis((p-(bis(2-chloroethyl)amino)phenyl)acetate)estradiol
Bis((p-(bis(2-chloroethyl)amino)phenyl)acetate)oestradiol
Estradiol mustard
Oestradiol mustard
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