3-Aza-17?-ethynyl-17?-acetoxy-19-nor-A-homoandrost-4a-en-4-one

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C22H29NO3
Molecular Weight	355.4706
Optical Activity	UNSPECIFIED
Defined Stereocenters	6 / 6
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 3-Aza-17?-ethynyl-17?-acetoxy-19-nor-A-homoandrost-4a-en-4-one

Structure Search

SMILES

CC(=O)O[C@]1(CC[C@H]2[C@@H]3CCC4=CC(=O)NCC[C@@H]4[C@H]3CC[C@]12C)C#C

InChI

InChIKey=ZSCLRRKLJCRKHF-YBHNGBFFSA-N

InChI=1S/C22H29NO3/c1-4-22(26-14(2)24)11-8-19-18-6-5-15-13-20(25)23-12-9-16(15)17(18)7-10-21(19,22)3/h1,13,16-19H,5-12H2,2-3H3,(H,23,25)/t16-,17+,18+,19-,21-,22-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C22H29NO3
Molecular Weight	355.4706
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 `Mon Mar 31 21:48:43 GMT 2025` Edited by `admin` on `Mon Mar 31 21:48:43 GMT 2025`
Record UNII	CQ7TN6TN5G
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

3-Aza-17?-ethynyl-17?-acetoxy-19-nor-A-homoandrost-4a-en-4-one

Systematic Name

English

3-Aza-A-homo-19-norpregn-4a-en-20-yn-4-one, 17-(acetyloxy)-, (17?)-

Preferred Name

English

CYCLOPENTA(5,6)NAPHTH(1,2-D)AZEPIN-2(3H)-ONE, 4,5,6,7,7A,8,9,10,10A,10B,11,12-DODECAHYDRO-8-ALPHA-ETHYNYL-8-BETA-HYDROXY-7A-METHYL-, ACETATE (ESTER)

Common Name

English

Code System Code Type Description

EPA CompTox

DTXSID50177958

Created by admin on Mon Mar 31 21:48:43 GMT 2025 , Edited by admin on Mon Mar 31 21:48:43 GMT 2025

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FDA UNII

CQ7TN6TN5G

Created by admin on Mon Mar 31 21:48:43 GMT 2025 , Edited by admin on Mon Mar 31 21:48:43 GMT 2025

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PUBCHEM

168105

Created by admin on Mon Mar 31 21:48:43 GMT 2025 , Edited by admin on Mon Mar 31 21:48:43 GMT 2025

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CAS

23400-85-3

Created by admin on Mon Mar 31 21:48:43 GMT 2025 , Edited by admin on Mon Mar 31 21:48:43 GMT 2025

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