Urea, N-(2-chloroethyl)-N′-[(3β,17β)-3-hydroxyandrost-5-en-17-yl]-N-nitroso-

CAS Registry Number®

81912-55-2
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CAS Name

Urea, N-(2-chloroethyl)-N′-[(3β,17β)-3-hydroxyandrost-5-en-17-yl]-N-nitroso-

Molecular Formula

C22H34ClN3O3

Molecular Mass

423.98

Cite this Page

Urea, N-(2-chloroethyl)-N′-[(3β,17β)-3-hydroxyandrost-5-en-17-yl]-N-nitroso-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=81912-55-2 (retrieved 2024-04-23) (CAS RN: 81912-55-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C22H34ClN3O3/c1-21-9-7-15(27)13-14(21)3-4-16-17-5-6-19(22(17,2)10-8-18(16)21)24-20(28)26(25-29)12-11-23/h3,15-19,27H,4-13H2,1-2H3,(H,24,28)/t15-,16-,17-,18-,19-,21-,22-/m0/s1

InChIKey

InChIKey=QSHCCJGNLACWQQ-UMWWKMARSA-N

SMILES

C[C@@]12[C@@]3([C@]([C@]4([C@](C)(CC3)[C@@H](NC(N(CCCl)N=O)=O)CC4)[H])(CC=C1C[C@@H](O)CC2)[H])[H]

Canonical SMILES

O=NN(C(=O)NC1CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C)CCCl

Other Names for this Substance

  • Urea, N-(2-chloroethyl)-N′-[(3β,17β)-3-hydroxyandrost-5-en-17-yl]-N-nitroso-
  • Androstane, urea deriv.

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