3-OXO-4-AZA-5-ANDROSTENE-17.BETA.-CARBOXYLIC ACID

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C19H27NO3
Molecular Weight	317.4226
Optical Activity	UNSPECIFIED
Defined Stereocenters	6 / 6
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 3-OXO-4-AZA-5-ANDROSTENE-17.BETA.-CARBOXYLIC ACID

Structure Search

SMILES

[H][C@@]12CC[C@H](C(O)=O)[C@@]1(C)CC[C@@]3([H])[C@@]2([H])CC=C4NC(=O)CC[C@]34C

InChI

InChIKey=WNUUCDPRBZUXGL-UUBMZHIOSA-N

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

HIDE SMILES / InChI

Molecular Formula	C19H27NO3
Molecular Weight	317.4226
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	6 / 6
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 04:53:37 GMT 2023` Edited by `admin` on `Sat Dec 16 04:53:37 GMT 2023`
Record UNII	UCI904SOZG
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

3-OXO-4-AZA-5-ANDROSTENE-17.BETA.-CARBOXYLIC ACID

Systematic Name

English

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)-

Systematic Name

English

Code System Code Type Description

EPA CompTox

DTXSID70893628

Created by admin on Sat Dec 16 04:53:37 GMT 2023 , Edited by admin on Sat Dec 16 04:53:37 GMT 2023

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FDA UNII

UCI904SOZG

Created by admin on Sat Dec 16 04:53:37 GMT 2023 , Edited by admin on Sat Dec 16 04:53:37 GMT 2023

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PUBCHEM

475447

Created by admin on Sat Dec 16 04:53:37 GMT 2023 , Edited by admin on Sat Dec 16 04:53:37 GMT 2023

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CAS

103335-54-2

Created by admin on Sat Dec 16 04:53:37 GMT 2023 , Edited by admin on Sat Dec 16 04:53:37 GMT 2023

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Related Record Type Details


					UCI904SOZG

3-OXO-4-AZA-5-ANDROSTENE-17.BETA.-CARBOXYLIC ACID

ACTIVE MOIETY