3-Oxo-4-aza-5α-androst-1-ene-17β-carboxylic acid

CAS Registry Number®

104239-97-6
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CAS Name

3-Oxo-4-aza-5α-androst-1-ene-17β-carboxylic acid

Molecular Formula

C19H27NO3

Molecular Mass

317.42

Cite this Page

3-Oxo-4-aza-5α-androst-1-ene-17β-carboxylic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=104239-97-6 (retrieved 2024-04-28) (CAS RN: 104239-97-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    295-297 °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/h8,10-15H,3-7,9H2,1-2H3,(H,20,21)(H,22,23)/t11-,12-,13-,14+,15+,18-,19+/m0/s1

InChIKey

InChIKey=FDESQZBVTKLIQN-MLGOENBGSA-N

SMILES

C[C@@]12[C@@]3([C@]([C@]4([C@](C)(CC3)[C@@H](C(O)=O)CC4)[H])(CC[C@]1(NC(=O)C=C2)[H])[H])[H]

Canonical SMILES

O=C1C=CC2(C)C(N1)CCC3C2CCC4(C)C(C(=O)O)CCC34

Other Names for this Substance

  • 1H-Indeno[5,4-f]quinoline-7-carboxylic acid, 2,4a,4b,5,6,6a,7,8,9,9a,9b,10,11,11a-tetradecahydro-4a,6a-dimethyl-2-oxo-, (4aR,4bS,6aS,7S,9aS,9bS,11aR)-
  • 4-Azaandrost-1-ene-17-carboxylic acid, 3-oxo-, (5α,17β)-
  • (4aR,4bS,6aS,7S,9aS,9bS,11aR)-2,4a,4b,5,6,6a,7,8,9,9a,9b,10,11,11a-Tetradecahydro-4a,6a-dimethyl-2-oxo-1H-indeno[5,4-f]quinoline-7-carboxylic acid
  • 1H-Indeno[5,4-f]quinoline-7-carboxylic acid, 2,4a,4b,5,6,6a,7,8,9,9a,9b,10,11,11a-tetradecahydro-4a,6a-dimethyl-2-oxo-, [4aR-(4aα,4bβ,6aα,7α,9aβ,9bα,11aβ)]-
  • 3-Oxo-4-aza-5α-androst-1-ene-17β-carboxylic acid

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