3-Oxo-4-aza-5-androstene-17β-carboxylic acid

CAS Registry Number®

103335-54-2

CAS Name

3-Oxo-4-aza-5-androstene-17β-carboxylic acid

Molecular Formula

C19H27NO3

Molecular Mass

317.42

Cite this Page

3-Oxo-4-aza-5-androstene-17β-carboxylic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=103335-54-2 (retrieved 2024-11-24) (CAS RN: 103335-54-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    >308 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C19H27NO3/c1-18-9-7-13-11(12(18)4-5-14(18)17(22)23)3-6-15-19(13,2)10-8-16(21)20-15/h6,11-14H,3-5,7-10H2,1-2H3,(H,20,21)(H,22,23)/t11-,12-,13-,14+,18-,19+/m0/s1

InChIKey

InChIKey=WNUUCDPRBZUXGL-UUBMZHIOSA-N

SMILES

C[C@@]12[C@@]3([C@]([C@]4([C@](C)(CC3)[C@@H](C(O)=O)CC4)[H])(CC=C1NC(=O)CC2)[H])[H]

Canonical SMILES

O=C(O)C1CCC2C3CC=C4NC(=O)CCC4(C)C3CCC12C

Other Names for this Substance

  • 1H-Indeno[5,4-f]quinoline-7-carboxylic acid, 2,3,4,4a,4b,5,6,6a,7,8,9,9a,9b,10-tetradecahydro-4a,6a-dimethyl-2-oxo-, (4aR,4bS,6aS,7S,9aS,9bS)-
  • 4-Azaandrost-5-ene-17-carboxylic acid, 3-oxo-, (17β)-
  • (4aR,4bS,6aS,7S,9aS,9bS)-2,3,4,4a,4b,5,6,6a,7,8,9,9a,9b,10-Tetradecahydro-4a,6a-dimethyl-2-oxo-1H-indeno[5,4-f]quinoline-7-carboxylic acid
  • 3-Oxo-4-aza-5-androstene-17β-carboxylic acid

Deleted or Replaced CAS Registry Numbers

1192133-36-0

CAS INSIGHTSTM
Hourglass and a clock