Estramustine phosphate
CAS Registry Number®
4891-15-0
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CAS Name
Estramustine phosphateMolecular Formula
C23H32Cl2NO6PMolecular Mass
520.38Cite this Page
Estramustine phosphate. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=4891-15-0 (retrieved ) (CAS RN: 4891-15-0). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Compound Properties
Melting Point (1)
155 °C
Source(s)
- (1) Drugs - Synonyms and Properties data were obtained from Ashgate Publishing Co. (US)
Other Names and Identifiers
InChI
InChI=1S/C23H32Cl2NO6P/c1-23-9-8-18-17-5-3-16(31-22(27)26(12-10-24)13-11-25)14-15(17)2-4-19(18)20(23)6-7-21(23)32-33(28,29)30/h3,5,14,18-21H,2,4,6-13H2,1H3,(H2,28,29,30)/t18-,19-,20+,21+,23+/m1/s1
InChIKey
InChIKey=ADFOJJHRTBFFOF-RBRWEJTLSA-N
SMILES
C[C@@]12[C@]([C@]3([C@@](C=4C(CC3)=CC(OC(N(CCCl)CCCl)=O)=CC4)(CC1)[H])[H])(CC[C@@H]2OP(=O)(O)O)[H]
Canonical SMILES
O=C(OC1=CC=C2C(=C1)CCC3C2CCC4(C)C(OP(=O)(O)O)CCC34)N(CCCl)CCCl
Other Names for this Substance
- Estra-1,3,5(10)-triene-3,17-diol (17β)-, 3-[N,N-bis(2-chloroethyl)carbamate], 17-(dihydrogen phosphate)
- Estradiol, 3-[bis(2-chloroethyl)carbamate] dihydrogen phosphate
- Estra-1,3,5(10)-triene-3,17-diol (17β)-, 3-[bis(2-chloroethyl)carbamate] 17-(dihydrogen phosphate)
- Estradiol, 3-[bis(2-chloroethyl)carbamate], 17-(dihydrogen phosphate)
- Carbamic acid, bis(2-chloroethyl)-, 3-ester with estradiol dihydrogen phosphate (ester)
