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

Structure Search

SMILES

[H][C@@]12CC[C@@](OC(C)=O)(C#C)[C@@]1(C)CC[C@]3([H])[C@@]4([H])CCNC(=O)C=C4CC[C@@]23[H]

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 `Sat Dec 16 07:59:54 GMT 2023` Edited by `admin` on `Sat Dec 16 07:59:54 GMT 2023`
Record UNII	CQ7TN6TN5G
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

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

Systematic 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

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

Common Name

English

Code System Code Type Description

EPA CompTox

DTXSID50177958

Created by admin on Sat Dec 16 07:59:54 GMT 2023 , Edited by admin on Sat Dec 16 07:59:54 GMT 2023

PRIMARY

FDA UNII

CQ7TN6TN5G

Created by admin on Sat Dec 16 07:59:54 GMT 2023 , Edited by admin on Sat Dec 16 07:59:54 GMT 2023

PRIMARY

PUBCHEM

168105

Created by admin on Sat Dec 16 07:59:54 GMT 2023 , Edited by admin on Sat Dec 16 07:59:54 GMT 2023

PRIMARY

CAS

23400-85-3

Created by admin on Sat Dec 16 07:59:54 GMT 2023 , Edited by admin on Sat Dec 16 07:59:54 GMT 2023

PRIMARY