21-Chloro-17-hydroxypregn-4-ene-3,11,20-trione

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C21H27ClO4
Molecular Weight	378.89
Optical Activity	UNSPECIFIED
Defined Stereocenters	6 / 6
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 21-Chloro-17-hydroxypregn-4-ene-3,11,20-trione

Structure Search

SMILES

[H][C@@]12CC[C@](O)(C(=O)CCl)[C@@]1(C)CC(=O)[C@@]3([H])[C@@]2([H])CCC4=CC(=O)CC[C@]34C

InChI

InChIKey=XVXRSRXAGUAJQS-ZPOLXVRWSA-N

InChI=1S/C21H27ClO4/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h9,14-15,18,26H,3-8,10-11H2,1-2H3/t14-,15-,18+,19-,20-,21-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C21H27ClO4
Molecular Weight	378.89
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 19:47:54 GMT 2023` Edited by `admin` on `Sat Dec 16 19:47:54 GMT 2023`
Record UNII	4CA2TNN869
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

21-Chloro-17-hydroxypregn-4-ene-3,11,20-trione

Systematic Name

English

Pregn-4-ene-3,11,20-trione, 21-chloro-17-hydroxy-

Systematic Name

English

Code System Code Type Description

CAS

26987-69-9

Created by admin on Sat Dec 16 19:47:54 GMT 2023 , Edited by admin on Sat Dec 16 19:47:54 GMT 2023

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PUBCHEM

14333416

Created by admin on Sat Dec 16 19:47:54 GMT 2023 , Edited by admin on Sat Dec 16 19:47:54 GMT 2023

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FDA UNII

4CA2TNN869

Created by admin on Sat Dec 16 19:47:54 GMT 2023 , Edited by admin on Sat Dec 16 19:47:54 GMT 2023

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