21-CHLORO-9-FLUORO-11.BETA.,17-DIHYDROXYPREGN-4-ENE-3,20-DIONE 17-BENZOATE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C28H32ClFO5
Molecular Weight	503.002
Optical Activity	UNSPECIFIED
Defined Stereocenters	7 / 7
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 21-CHLORO-9-FLUORO-11.BETA.,17-DIHYDROXYPREGN-4-ENE-3,20-DIONE 17-BENZOATE

Structure Search

SMILES

C[C@]12C[C@H](O)[C@@]3(F)[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@]2(OC(=O)C5=CC=CC=C5)C(=O)CCl

InChI

InChIKey=FKELSJPXGMUTKJ-QODIASIUSA-N

InChI=1S/C28H32ClFO5/c1-25-12-10-19(31)14-18(25)8-9-21-20-11-13-27(23(33)16-29,26(20,2)15-22(32)28(21,25)30)35-24(34)17-6-4-3-5-7-17/h3-7,14,20-22,32H,8-13,15-16H2,1-2H3/t20-,21-,22-,25-,26-,27-,28-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C28H32ClFO5
Molecular Weight	503.002
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 17:53:33 GMT 2025` Edited by `admin` on `Mon Mar 31 17:53:33 GMT 2025`
Record UNII	37GNL1H13K
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

21-CHLORO-9-FLUORO-11.BETA.,17-DIHYDROXYPREGN-4-ENE-3,20-DIONE 17-BENZOATE

Systematic Name

English

21-CHLORO-9-FLUORO-11B,17-DIHYDROXYPREGN-4-ENE-3,20-DIONE,17-BENZOATE

Preferred Name

English

PREGN-4-ENE-3,20-DIONE, 17-(BENZOYLOXY)-21-CHLORO-9-FLUORO-11-HYDROXY-, (11.BETA.)-

Systematic Name

English

Code System Code Type Description

FDA UNII

37GNL1H13K

Created by admin on Mon Mar 31 17:53:33 GMT 2025 , Edited by admin on Mon Mar 31 17:53:33 GMT 2025

PRIMARY

PUBCHEM

90479630

Created by admin on Mon Mar 31 17:53:33 GMT 2025 , Edited by admin on Mon Mar 31 17:53:33 GMT 2025

PRIMARY

CAS

78719-57-0

Created by admin on Mon Mar 31 17:53:33 GMT 2025 , Edited by admin on Mon Mar 31 17:53:33 GMT 2025

PRIMARY