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Estramustine

CAS Registry Number®

2998-57-4

CAS Name

Estramustine

Molecular Formula

C23H31Cl2NO3

Molecular Mass

440.40

Cite this Page

Estramustine.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=2998-57-4 (retrieved 2024-11-25) (CAS RN: 2998-57-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    104.5 °C

Source(s)

  • (1) PhysProp data were obtained from Syracuse Research Corporation of Syracuse, New York (US)

Other Names and Identifiers

InChI

InChI=1S/C23H31Cl2NO3/c1-23-9-8-18-17-5-3-16(29-22(28)26(12-10-24)13-11-25)14-15(17)2-4-19(18)20(23)6-7-21(23)27/h3,5,14,18-21,27H,2,4,6-13H2,1H3/t18-,19-,20+,21+,23+/m1/s1

InChIKey

InChIKey=FRPJXPJMRWBBIH-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]2O)[H]

Canonical SMILES

O=C(OC1=CC=C2C(=C1)CCC3C2CCC4(C)C(O)CCC34)N(CCCl)CCCl

Other Names for this Substance

  • Estra-1,3,5(10)-triene-3,17-diol (17β)-, 3-[bis(2-chloroethyl)carbamate]
  • Estradiol, 3-[bis(2-chloroethyl)carbamate]
  • Carbamic acid, bis(2-chloroethyl)-, 17β-hydroxyestra-1,3,5(10)-trien-3-yl ester
  • Estramustine
  • Leo 275

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