6-((METHYLPHENYLAMINO)METHYL)ANDROSTA-1,4-DIENE-3,17-DIONE

Details

Stereochemistry	EPIMERIC
Molecular Formula	C27H33NO2
Molecular Weight	403.5564
Optical Activity	UNSPECIFIED
Defined Stereocenters	5 / 6
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 6-((METHYLPHENYLAMINO)METHYL)ANDROSTA-1,4-DIENE-3,17-DIONE

Structure Search

SMILES

[H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]3([H])[C@@]2([H])CC(CN(C)C4=CC=CC=C4)C5=CC(=O)C=C[C@]35C

InChI

InChIKey=NWKUNZOUFMCSMI-QVUOJHHQSA-N

InChI=1S/C27H33NO2/c1-26-13-11-20(29)16-24(26)18(17-28(3)19-7-5-4-6-8-19)15-21-22-9-10-25(30)27(22,2)14-12-23(21)26/h4-8,11,13,16,18,21-23H,9-10,12,14-15,17H2,1-3H3/t18?,21-,22-,23-,26+,27-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C27H33NO2
Molecular Weight	403.5564
Charge	0
Count

Stereochemistry	EPIMERIC
Additional Stereochemistry	No
Defined Stereocenters	5 / 6
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 18:19:56 GMT 2023` Edited by `admin` on `Sat Dec 16 18:19:56 GMT 2023`
Record UNII	QH3GBK74RN
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

6-((METHYLPHENYLAMINO)METHYL)ANDROSTA-1,4-DIENE-3,17-DIONE

Systematic Name

English

ANDROSTA-1,4-DIENE-3,17-DIONE, 6-((METHYLPHENYLAMINO)METHYL)-

Systematic Name

English

Code System Code Type Description

FDA UNII

QH3GBK74RN

Created by admin on Sat Dec 16 18:19:56 GMT 2023 , Edited by admin on Sat Dec 16 18:19:56 GMT 2023

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PUBCHEM

157010716

Created by admin on Sat Dec 16 18:19:56 GMT 2023 , Edited by admin on Sat Dec 16 18:19:56 GMT 2023

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CAS

1159050-47-1

Created by admin on Sat Dec 16 18:19:56 GMT 2023 , Edited by admin on Sat Dec 16 18:19:56 GMT 2023

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