3-AZA-.ALPHA.-HOMOCHOLEST-4.ALPHA.-EN-4-ONE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C27H45NO
Molecular Weight	399.6523
Optical Activity	UNSPECIFIED
Defined Stereocenters	7 / 7
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 3-AZA-.ALPHA.-HOMOCHOLEST-4.ALPHA.-EN-4-ONE

Structure Search

SMILES

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

InChI

InChIKey=FKEMOURCBNXSDQ-HZPUXBNGSA-N

InChI=1S/C27H45NO/c1-18(2)7-6-8-19(3)22-11-12-23-21-10-9-20-17-25(29)28-16-15-26(20,4)24(21)13-14-27(22,23)5/h17-19,21-24H,6-16H2,1-5H3,(H,28,29)/t19-,21+,22-,23+,24+,26+,27-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C27H45NO
Molecular Weight	399.6523
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	7 / 7
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 21:24:10 GMT 2025` Edited by `admin` on `Mon Mar 31 21:24:10 GMT 2025`
Record UNII	TXL8V3W6Q9
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

NSC-61704

Preferred Name

English

3-AZA-.ALPHA.-HOMOCHOLEST-4.ALPHA.-EN-4-ONE

Common Name

English

CYCLOPENTA(5,6)NAPHTH(1,2-D)AZEPIN-2(3H)-ONE, 8-(1,5-DIMETHYLHEXYL)-4,5,5A,5B,6,7,7A,8,9,10,10A,10B,11,12-TETRADECAHYDRO-5A,7A-DIMETHYL-

Common Name

English

3-AZA-A-HOMOCHOLEST-4A-EN-4-ONE

Common Name

English

CYCLOPENTA(5,6)NAPHTH(1,2-D)AZEPIN-2(3H)-ONE, 8-((1R)-1,5-DIMETHYLHEXYL)-4,5,5A,5B,6,7,7A,8,9,10,10A,10B,11,12-TETRADECAHYDRO-5A,7A-DIMETHYL-, (5AR,5BS,7AR,8R,10AS,10BS)-

Common Name

English

CYCLOPENTA(5,6)NAPHTH(1,2-D)AZEPIN-2(3H)-ONE, 8.BETA.-(1,5-DIMETHYLHEXYL)-4,5,5A,5B.ALPHA.,6,7,7A,8,9,10,10A.ALPHA.,10B.BETA.,11,12-TETRADECAHYDRO-5A.BETA.,7A.BETA.-DIMETHYL-

Common Name

English

Code System Code Type Description

FDA UNII

TXL8V3W6Q9