(4aR,4bS,6aS,7S,9aS,9bS)-4a,6a-Dimethyl-2-oxo-2,3,4,4a,4b,5,6,6a,7,8,9,9a,9b,10-tetradecahydro-1H-indeno[5,4-f]quinoline-7-carboxylic acid | CAS No. 103335-54-2

(4aR,4bS,6aS,7S,9aS,9bS)-4a,6a-Dimethyl-2-oxo-2,3,4,4a,4b,5,6,6a,7,8,9,9a,9b,10-tetradecahydro-1H-indeno[5,4-f]quinoline-7-carboxylic acid

Basic Information

CAS Number

103335-54-2

Molecular Formula

C19H27NO3

Molecular Weight

317.43 g/mol

AD

Basic Physical Properties

Melting Point

>308 ºC

CC12CCC3C(C1CCC2C(=O)O)CC=C4C3(CCC(=O)N4)C

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

WNUUCDPRBZUXGL-UUBMZHIOSA-N

LogP

3.3336000000000015

Topological Polar Surface Area

66.4 Ų

Hydrogen Bond Donor/Acceptor

2 / 4

Complexity

597

Safety Information

View Safety Information

Hazard Class

Class 9 Class 9

Synonyms & References

English

  • 3-Oxo-4-aza-5-androstene-17
  • NS00114765
  • 3-OXO-4-AZAANDROST-5-EEN-17-BETA-CARBONZUUR
  • 4-Aza-5-androsten-3-one-17-beta-carboxylic acid
  • UNII-UCI904SOZG
  • 103335-54-2
  • (1S,3aS,3bS,9aR,9bS,11aS)-9a,11a-dimethyl-7-oxo-1,2,3,3a,3b,4,6,8,9,9b,10,11-dodecahydroindeno[5,4-f]quinoline-1-carboxylic acid
  • 4-aza-5-androsten-3-oxo-17?-carboxylic acid
  • SCHEMBL4416881
  • 1H-Indeno[5,4-f]quinoline-7-carboxylicacid,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)-
  • Q27291022
  • 3-Oxo-4-aza-5-androstene-17-carboxylic acid
  • 3-Oxo-4-azaandrost-5-ene-17beta-carboxylic acid
  • DTXSID70893628
  • A-carboxylic acid
  • 3-Oxo-4-aza-5-androstene-17.beta.-carboxylic acid
  • 3-Oxo-4-aza-5-androstene-17beta-carboxylic acid
  • UCI904SOZG
  • WNUUCDPRBZUXGL-UUBMZHIOSA-N
  • CS-0008495
  • 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)-
  • 1H-Indeno[5,4-f]quinoline-7-carboxylicacid, 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)-
  • 1H-Indeno[5,4-f]quinoline-7-carboxylicacid, 2,3,4,4a,4b,5,6,6a,7,8,9,9a,9b,10-tetradecahydro-4...
  • delta-5 aza acid
  • 4-aza-5-androsten-3-oxo-17β-carboxylic acid
  • 3-Oxo-4-aza-5-androstene-17b-carboxylic acid
  • 4-aza-5-androsten-3-oxo-17beta-carboxylicacid
  • 4-AZA-5-ANDROSTEN-3-ONE-17-BETA-CARBOXYLIC ACID
  • 4-Azaandrost-5-ene-17-carboxylic acid, 3-oxo-, (17β)-

MDL Number

MFCD09832929

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