(4aR,4bS,6aS,7S,9aS,9bS,11aR)-4a,6a-Dimethyl-2-oxo-2,4a,4b,5,6,6a,7,8,9,9a,9b,10,11,11a-tetradecahydro-1H-indeno[5,4-f]quinoline-7-carboxylic acid

Basic Information

View in Editor

CAS Number

104239-97-6

Molecular Formula

C19H27NO3

Molecular Weight

317.43 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Physical State

Powder

Melting Point

295-297 ºC

SMILES

View in Editor

CC12CCC3C(C1CCC2C(=O)O)CCC4C3(C=CC(=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/h8,10-15H,3-7,9H2,1-2H3,(H,20,21)(H,22,23)/t11-,12-,13-,14+,15+,18-,19+/m0/s1

InChIKey

FDESQZBVTKLIQN-MLGOENBGSA-N

LogP

2.984400000000001

Topological Polar Surface Area

66.4 Å²

Hydrogen Bond Donor/Acceptor

2 / 4

Complexity

585

Safety Information

View Safety Information

Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

CS-M2829
MFCD08063794
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)-
3-Oxo-4-aza-5 alpha - alpha ndrost-1-ene-17 beta -carboxylic Acid
(1S,3aS,3bS,5aR,9aR,9bS,11aS)-9a,11a-dimethyl-7-oxo-1,2,3,3a,3b,4,5,5a,6,9b,10,11-dodecahydroindeno[5,4-f]quinoline-1-carboxylic acid
A-androstan-1-ene-3-one-17
GS-0922
DUTASTERIDE IMPURITY A [EP IMPURITY]
O0515
3-Oxo-4-aza-5f inverted question mark-androst-1-ene-17fA-carboxylic Acid
(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
4-aza-5
Dutasteride acid
104239-97-6
3-Oxo-4-aza-5
BCP10733
(4aR,4bS,6aS,7S,9aS,9bS,11aR)-4a,6a-Dimethyl-2-oxo-2,4a,4b,5,6,6a,7,8,9,9a,9b,10,11,11a-tetradecahydro-1H-indeno[5,4-f]quinoline-7-carboxylic acid
A-androst-1-ene-17
(5alpha,17beta)-3-Oxo-4-azaandrost-1-ene-17-carboxylic acid
3-Oxo-4-aza-5alpha-androst-1-ene-17beta-carboxylic acid
H11005
Z3244525813
3-Oxo-4-aza-5a-androst-1-ene-17b-carboxylic Acid
2E6A626D4R
UNII-2E6A626D4R
EX-A1949
(4aR,4bS,6aS,7S,9aS,9bS,11aR)-4a,6a-dimethyl-2-oxo-1H,2H,4aH,4bH,5H,6H,6aH,7H,8H,9H,9aH,9bH,10H,11H,11aH-indeno[5,4-f]quinoline-7-carboxylic acid
A-carboxylic acid
3-Oxo-4-aza-5?-?ndrost-1-ene-17?-carboxylic Acid
DTXSID001238002
EN300-20675450

MDL Number

MFCD08063794

FAQ

What regulatory guidelines apply to (4aR,4bS,6aS,7S,9aS,9bS,11aR)-4a,6a-Dimethyl-2-oxo-2,4a,4b,5,6,6a,7,8,9,9a,9b,10,11,11a-tetradecahydro-1H-indeno[5,4-f]quinoline-7-carboxylic acid (CAS: 104239-97-6)?

This compound is regulated under various guidelines depending on its intended use. For industrial use, it must comply with REACH regulations for registration, evaluation, authorization, and restriction of chemicals in the European Union. In the United States, the FDA may require registration for certain pharmaceutical applications, and the EPA may regulate it under the Toxic Substances Control Act for environmental and safety concerns.

Are there alternatives to (4aR,4bS,6aS,7S,9aS,9bS,11aR)-4a,6a-Dimethyl-2-oxo-2,4a,4b,5,6,6a,7,8,9,9a,9b,10,11,11a-tetradecahydro-1H-indeno[5,4-f]quinoline-7-carboxylic acid (CAS: 104239-97-6) in synthesis?

Yes, there are alternative reagents and isomers that can be used in synthesis. For example, (4aS,4bR,6aS,7R,9aS,9bS,11aS)-4a,6a-Dimethyl-2-oxo-2,4a,4b,5,6,6a,7,8,9,9a,9b,10,11,11a-tetradecahydro-1H-indeno[5,4-f]quinoline-7-carboxylic acid is a similar compound with different stereochemistry. Other alternatives include using diols and carboxylic acids in condensation reactions.

What is the market or research trend for (4aR,4bS,6aS,7S,9aS,9bS,11aR)-4a,6a-Dimethyl-2-oxo-2,4a,4b,5,6,6a,7,8,9,9a,9b,10,11,11a-tetradecahydro-1H-indeno[5,4-f]quinoline-7-carboxylic acid (CAS: 104239-97-6)?

Research trends for this compound indicate growing interest in its application in pharmaceuticals and materials science. Market demand is increasing due to its potential as a drug candidate and in drug delivery systems. Recent studies focus on its synthesis, properties, and biological activities, particularly in antiviral and anticancer applications.

How should waste containing (4aR,4bS,6aS,7S,9aS,9bS,11aR)-4a,6a-Dimethyl-2-oxo-2,4a,4b,5,6,6a,7,8,9,9a,9b,10,11,11a-tetradecahydro-1H-indeno[5,4-f]quinoline-7-carboxylic acid (CAS: 104239-97-6) be handled?

Waste containing this compound should be handled according to hazardous waste regulations. Collection should be done in properly labeled containers and stored in a secure, well-ventilated area. Incineration or professional waste disposal is recommended, and environmental precautions such as containment and monitoring of emissions must be observed to prevent contamination. Compliance with local and international environmental protection standards is essential.