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

Basic Information

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CAS Number

103335-55-3

Molecular Formula

C19H29NO3

Molecular Weight

319.45 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

315°C

Boiling Point

518.189 °C at 760 mmHg

Density

1.145

Flash Point

267.191 °C

SMILES

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CC12CCC3C(C1CCC2C(=O)O)CCC4C3(CCC(=O)N4)C

InChI

InChI=1S/C19H29NO3/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/h11-15H,3-10H2,1-2H3,(H,20,21)(H,22,23)/t11-,12-,13-,14+,15+,18-,19+/m0/s1

InChIKey

MJXIPHMGYJXKLJ-MLGOENBGSA-N

LogP

3.208400000000002

Topological Polar Surface Area

66.4 Å²

Hydrogen Bond Donor/Acceptor

2 / 4

Complexity

547

Safety Information

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Hazard Statement

H317 May cause an allergic skin reaction
Sensitization, Skin

H319 Causes serious eye irritation
Serious eye damage/eye irritation

Synonyms & References

English

DTXSID00431299
F20668
J-513013
3-Oxo-4-aza-5a-androstan-17b-carboxylic Acid
(2R,3R,4bS,6aS,7S,9aS,9bS)-4a,6a-Dimethyl-2-oxo-hexadecahydro-indeno[5,4-f]quinoline-7-carboxylic acid
A926959
AKOS016007540
MFCD06411020
4-aza-5
SCHEMBL950691
4-Aza-5alpha-androstan-3-one-17beta-carboxylic acid
(1S,3aS,3bS,5aR,9aR,9bS,11aS)-9a,11a-dimethyl-7-oxo-1,2,3,3a,3b,4,5,5a,6,8,9,9b,10,11-tetradecahydroindeno[5,4-f]quinoline-1-carboxylic acid
A-androstan-3-one-17
103335-55-3
3-Oxo-4-aza-5?-androstane-17?-carboxylic acid
A-carboxylic acid
MJXIPHMGYJXKLJ-MLGOENBGSA-N
3-Oxo-4-aza-5alpha-androstan-17beta-carboxylic Acid
3-Oxo-4-aza-5alpha-androstane-17beta-carboxylic acid
3-Oxo-4-aza-5-alpha-androstane-17-beta-carboxylic acid
AC-6218
AS-16007
EX-A1950
(4aR,4bS,6aS,7S,9aS,9bS,11aR)-4a,6a-dimethyl-2-oxohexadecahydro-1H-indeno[5,4-f]quinoline-7-carboxylic acid
O0514
3-Oxo-4-aza-5α-andro
3-Oxo-4-aza-5α-androstan-17β-carboxylic Acid
M3 ACID
R785
4-Azaandrostane-17-carboxylicacid, 3-oxo-, (5a,17b)-
1H-Indeno[5,4-f]quinoline-7-carboxylic acid,hexadecahydro-4a,6a-dimethyl-2-oxo-, [4aR-(4aa,4bb,6aa,7a,9ab,9ba,11ab)]-

MDL Number

MFCD06411020

Customs Code

2937290090

FAQ

What regulatory guidelines apply to (4aR,4bS,6aS,7S,9aS,9bS,11aR)-4a,6a-Dimethyl-2-oxohexadecahydro-1H-indeno[5,4-f]quinoline-7-carboxylic acid (CAS: 103335-55-3)?

This compound requires adherence to the Globally Harmonized System (GHS) for classification and labeling of hazardous chemicals. It also falls under the scope of the Registration, Evaluation, Authorization, and Restriction of Chemicals (REACH) regulation in the EU. Additionally, the Food and Drug Administration (FDA) and Environmental Protection Agency (EPA) have specific guidelines for its handling and disposal. Ensure compliance with local and national regulations regarding the safe transport, storage, and use of this compound.

Are there alternatives to (4aR,4bS,6aS,7S,9aS,9bS,11aR)-4a,6a-Dimethyl-2-oxohexadecahydro-1H-indeno[5,4-f]quinoline-7-carboxylic acid (CAS: 103335-55-3) in synthesis?

Alternative reagents or isomers can be used depending on the specific needs of the synthesis. For example, analogs such as dihydroquinoline derivatives or related quinoline-based compounds can serve as substitutes. The choice of reagents often depends on the desired product structure and the reaction conditions. Consulting with a chemist or reviewing recent literature can provide guidance on suitable alternatives.

What is the market or research trend for (4aR,4bS,6aS,7S,9aS,9bS,11aR)-4a,6a-Dimethyl-2-oxohexadecahydro-1H-indeno[5,4-f]quinoline-7-carboxylic acid (CAS: 103335-55-3)?

Research on this compound is relatively specialized and focuses on its potential applications in medicinal chemistry and pharmacology. Market trends indicate increasing interest in its use as a lead compound for drug development. Recent studies are exploring its biological activity and potential therapeutic value. As research progresses, there may be a growing demand for this compound in academic and pharmaceutical settings.

How should waste containing (4aR,4bS,6aS,7S,9aS,9bS,11aR)-4a,6a-Dimethyl-2-oxohexadecahydro-1H-indeno[5,4-f]quinoline-7-carboxylic acid (CAS: 103335-55-3) be handled?

Waste containing this compound should be collected in suitable containers and disposed of according to local regulations. Professional waste disposal services are recommended for large quantities or hazardous waste. Ensure that waste is neutralized or treated appropriately to minimize environmental impact. It is crucial to follow all safety precautions and consult with environmental protection authorities for specific disposal guidelines.