9-FLUORO-11,21-DIHYDROXY-16,17-((1-METHYLETHYLIDENE)BIS(OXY))-2'-(4-PYRIDINYL)-2'H-PREGNA-2,4-DIENO(3,2-C)PYRAZOL-20-ONE, (11.BETA.,16.ALPHA.)-

Details

Stereochemistry	ACHIRAL
Molecular Formula	C30H36FN3O5
Molecular Weight	537.6223
Optical Activity	UNSPECIFIED
Defined Stereocenters	8 / 8
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 9-FLUORO-11,21-DIHYDROXY-16,17-((1-METHYLETHYLIDENE)BIS(OXY))-2'-(4-PYRIDINYL)-2'H-PREGNA-2,4-DIENO(3,2-C)PYRAZOL-20-ONE, (11.BETA.,16.ALPHA.)-

Structure Search

SMILES

CC1(C)O[C@@H]2C[C@H]3[C@@H]4CCC5=CC6=C(C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@@]2(O1)C(=O)CO)C=NN6C7=CC=NC=C7

InChI

InChIKey=WTZVIDOKYWYFRG-PODHWHLESA-N

InChI=1S/C30H36FN3O5/c1-26(2)38-25-12-21-20-6-5-18-11-22-17(15-33-34(22)19-7-9-32-10-8-19)13-27(18,3)29(20,31)23(36)14-28(21,4)30(25,39-26)24(37)16-35/h7-11,15,20-21,23,25,35-36H,5-6,12-14,16H2,1-4H3/t20-,21-,23-,25+,27-,28-,29-,30+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C30H36FN3O5
Molecular Weight	537.6223
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 18:08:04 GMT 2025` Edited by `admin` on `Mon Mar 31 18:08:04 GMT 2025`
Record UNII	HY6TH5MPQ1
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

9-FLUORO-11,21-DIHYDROXY-16,17-((1-METHYLETHYLIDENE)BIS(OXY))-2'-(4-PYRIDINYL)-2'H-PREGNA-2,4-DIENO(3,2-C)PYRAZOL-20-ONE, (11.BETA.,16.ALPHA.)-

Systematic Name

English

2'H-PREGNA-2,4-DIENO(3,2-C)PYRAZOL-20-ONE, 9-FLUORO-11,21-DIHYDROXY-16,17-((1-METHYLETHYLIDENE)BIS(OXY))-2'-(4-PYRIDINYL)-, (11.BETA.,16.ALPHA.)-

Preferred Name

English

Code System Code Type Description

PUBCHEM

131801052

Created by admin on Mon Mar 31 18:08:04 GMT 2025 , Edited by admin on Mon Mar 31 18:08:04 GMT 2025

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FDA UNII

HY6TH5MPQ1

Created by admin on Mon Mar 31 18:08:04 GMT 2025 , Edited by admin on Mon Mar 31 18:08:04 GMT 2025

PRIMARY

CAS

54999-15-4

Created by admin on Mon Mar 31 18:08:04 GMT 2025 , Edited by admin on Mon Mar 31 18:08:04 GMT 2025

PRIMARY