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| CAS No.: | 28014-46-2 |
|---|---|
| Name: | Polyestradiol |
| Molecular Structure: | |
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| Formula: | (C18H24O2•H3O4P)x |
| Molecular Weight: | 430.328 |
| Synonyms: | Polyestradiol;POLYOESTRIOLPHOSPHATE;POLYOESTRADIOLPHOSPHATE;POLYOESTRIOLPHOSPATE;oestradiol phosphate polymer |
| Density: | g/cm3 |
| Melting Point: | 195-202° |
| Boiling Point: | 445.9°Cat760mmHg |
| Flash Point: | 209.6°C |
| Safety: | Confirmed carcinogen producing liver tumors. An experimental teratogen. A drug used in cancer treatment. When heated to decomposition it emits toxic fumes of POx. See also ESTRADIOL, ESTERS, POLYMERS, WATER-INSOLUBLE; POLYMERS, WATER-SOLUBLE, and PHOSPHORIC ACID. |
| PSA: | 131.14000 |
| LogP: | 4.46930 |
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Chemistry
IUPAC Name: (8R,9S,13S,14S,17S)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol ; phosphoric acid
Empirical Formula: C18H27O6P
Molecular Weight: 370.3771g/mol
Flash Point: 209.6 °C
Enthalpy of Vaporization: 74.19 kJ/mol
Boiling Point: 445.9 °C at 760 mmHg
Vapour Pressure: 9.82E-09 mmHg at 25°C
Classification Code: Estrogens, Hormones, Hormone Substitutes, and Hormone Antagonists, Human Data, Reproductive Effect, Tumor data
Canonical SMILES: CC12CCC3C(C1CCC2O)CCC4=C3C=CC(=C4)O.OP(=O)(O)O
Isomeric SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CCC4=C3C=CC(=C4)O.OP(=O)(O)O
InChI: InChI=1S/C18H24O2.H3O4P/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20;1-5(2,3)4/h3,5,10,14-17,19-20H,2,4,6-9H2,1H3;(H3,1,2,3,4)/t14-,15-,16+,17+,18+;/m1./s1
InChIKey: DGPHKOYFSODERC-CMZLOHJFSA-N
Structure of Estradiol, polyester with phosphoric acid (CAS NO.28014-46-2):
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Toxicity Data With Reference
| 1. | ims-wmn TDLo:173 mg/kg/9Y-I:CAR,LIV | ACLRBL Annals of Clinical Research. 7 (1975),287. | ||
| 2. | scu-rat LD50:5800 mg/kg | FATOBP Farmakologiya i Toksikologiya (Kiev). Pharmacology and Toxicology.(15),(1980),56. | ||
| 3. | scu-mus LD50:6100 mg/kg | FATOBP Farmakologiya i Toksikologiya (Kiev). Pharmacology and Toxicology.(15),(1980),56. |
Consensus Reports
IARC Cancer Review: Animal Sufficient Evidence IMEMDT IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man . 21 , 1979,p. 279.(World Health Organization, Internation Agency for Research on Cancer,Lyon, France.: ) (Single copies can be ordered from WHO Publications Centre U.S.A., 49 Sheridan Avenue, Albany, NY 12210) .
Safety Profile
Confirmed carcinogen producing liver tumors. An experimental teratogen. A drug used in cancer treatment. When heated to decomposition it emits toxic fumes of POx. See also ESTRADIOL, ESTERS, POLYMERS, WATER-INSOLUBLE; POLYMERS, WATER-SOLUBLE, and PHOSPHORIC ACID.
Specification
Estradiol, polyester with phosphoric acid , its cas register number is 28014-46-2. It also can be called (17-beta)-Estra-1,3,5(10)-triene-3,17-diol polymer with phosphoric acid ; Estra-1,3,5(10)-triene-3,17 diol (17-beta)-, polymer with phosporic acid ; Estradiol phosphate polymer ; Estradurin ; Fosfato de poliestradiol ; Leo 114 ; Oestradiol phosphate polymer ;
Oestradiol polyester with phosphoric acid ; Phosphate de polyestradiol ; Poly(estradiol phosphate) ; Polyestradioli phosphas .