9-ACETAMIDO-21-CHLORO-11.BETA.,16.ALPHA.,17-TRIHYDROXYPREGN-4-ENE-3,20-DIONE-16,17-ACETONIDE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C26H36ClNO6
Molecular Weight	494.02
Optical Activity	UNSPECIFIED
Defined Stereocenters	8 / 8
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 9-ACETAMIDO-21-CHLORO-11.BETA.,16.ALPHA.,17-TRIHYDROXYPREGN-4-ENE-3,20-DIONE-16,17-ACETONIDE

Structure Search

SMILES

CC(=O)N[C@]12[C@@H](O)C[C@@]3(C)[C@@H](C[C@H]4OC(C)(C)O[C@@]34C(=O)CCl)[C@@H]1CCC5=CC(=O)CC[C@]25C

InChI

InChIKey=LITMZGQZIBURQO-VHDCPBDGSA-N

InChI=1S/C26H36ClNO6/c1-14(29)28-25-17(7-6-15-10-16(30)8-9-23(15,25)4)18-11-21-26(20(32)13-27,34-22(2,3)33-21)24(18,5)12-19(25)31/h10,17-19,21,31H,6-9,11-13H2,1-5H3,(H,28,29)/t17-,18-,19-,21+,23-,24-,25-,26+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C26H36ClNO6
Molecular Weight	494.02
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	8 / 8
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 17:59:41 GMT 2025` Edited by `admin` on `Mon Mar 31 17:59:41 GMT 2025`
Record UNII	EAB7J055DC
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

9-ACETAMIDO-21-CHLORO-11.BETA.,16.ALPHA.,17-TRIHYDROXYPREGN-4-ENE-3,20-DIONE-16,17-ACETONIDE

Common Name

English

ACETAMIDE, N-((11.BETA.,16.ALPHA.)-21-CHLORO-11-HYDROXY-16,17-((1-METHYLETHYLIDENE)BIS(OXY))-3,20-DIOXOPREGN-4-EN-9-YL)-

Preferred Name

English

Code System Code Type Description

FDA UNII

EAB7J055DC

Created by admin on Mon Mar 31 17:59:41 GMT 2025 , Edited by admin on Mon Mar 31 17:59:41 GMT 2025

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PUBCHEM

90478605

Created by admin on Mon Mar 31 17:59:41 GMT 2025 , Edited by admin on Mon Mar 31 17:59:41 GMT 2025

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CAS

52091-97-1

Created by admin on Mon Mar 31 17:59:41 GMT 2025 , Edited by admin on Mon Mar 31 17:59:41 GMT 2025

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