CAS 1180488-92-9

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

Description:

The chemical substance with the name "(4aR,4bS,6aS,7S,9aS,9bS)-2,4a,4b,5,6,6a,7,8,9,9a,9b,10-Dodecahydro-4a,6a-dimethyl-2-oxo-1H-indeno[5,4-f]quinoline-7-carboxylic acid" and CAS number "1180488-92-9" is a complex organic compound characterized by its intricate polycyclic structure, which includes multiple fused rings and various stereocenters. This compound features a dodecahydro framework, indicating a high degree of saturation, and contains functional groups such as a carboxylic acid and a ketone, contributing to its reactivity and potential biological activity. The specific stereochemistry, denoted by the R and S configurations, suggests that the compound may exhibit unique properties and interactions, particularly in biological systems. Such compounds are often of interest in medicinal chemistry and drug development due to their potential therapeutic applications. The presence of multiple chiral centers also implies that the compound may exist in different stereoisomeric forms, which can significantly influence its pharmacological profile.

Formula: C₁₉H₂₅NO₃

InChI: InChI=1S/C19H25NO3/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/h6,8,10-14H,3-5,7,9H2,1-2H3,(H,20,21)(H,22,23)/t11-,12-,13-,14+,18-,19+/m0/s1

InChI key: InChIKey=YUTRZIYCTWYZCF-UUBMZHIOSA-N

SMILES: C[C@@]12[C@@]3([C@]([C@]4([C@](C)(CC3)[C@@H](C(O)=O)CC4)[H])(CC=C1NC(=O)C=C2)[H])[H]

Synonyms:

• 1H-Indeno[5,4-f]quinoline-7-carboxylic acid, 2,4a,4b,5,6,6a,7,8,9,9a,9b,10-dodecahydro-4a,6a-dimethyl-2-oxo-, (4aR,4bS,6aS,7S,9aS,9bS)-
• (4aR,4bS,6aS,7S,9aS,9bS)-2,4a,4b,5,6,6a,7,8,9,9a,9b,10-Dodecahydro-4a,6a-dimethyl-2-oxo-1H-indeno[5,4-f]quinoline-7-carboxylic acid
• 3-Oxo-4-aza-androst-1,5-diene-17-carboxylic Acid
• Dutasteride Impurity 41

3-Oxo-4-aza-androst-1,5-diene-17-carboxylic Acid

Controlled Product

CAS: 1180488-92-9

Applications A finasteride (F342000) and dutasteride (D735000) impurity.
References Koronkowski, M.J., et al.: Pharmacotherapy, 13, 309 (1993), Tenover, J.L., et al.: Clin. Ther., 19, 243 (1997), McConnell, J.D., et al.: N. Engl. J. Med., 338, 557 (1998),

Formula: C₁₉H₂₅NO₃

Color and Shape: Neat

Molecular weight: 315.41

Ref: TR-O847170

Finasteride Dehydro Carboxylic Acid

CAS: 1180488-92-9

Formula: C₁₉H₂₅NO₃

Molecular weight: 315.4

Ref: ST-EA-CP-F14005