Estramustine phosphate

CAS Registry Number®

4891-15-0

CAS Name

Estramustine phosphate

Molecular Formula

C23H32Cl2NO6P

Molecular Mass

520.38

Cite 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 2024-11-21) (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)

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CAS INSIGHTSTM
Targeted protein degrader structure, illustration