9.ALPHA.-FLUORO-11.BETA.,16.ALPHA.,17.ALPHA,21-TETRAHYDROXYPREGN-4-EN-20-ONE(3,2-C)-2'-P-FLUOROPHENYLPYRAZOLE-16,17-ACETONIDE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C31H36F2N2O5
Molecular Weight	554.6247
Optical Activity	UNSPECIFIED
Defined Stereocenters	8 / 8
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 9.ALPHA.-FLUORO-11.BETA.,16.ALPHA.,17.ALPHA,21-TETRAHYDROXYPREGN-4-EN-20-ONE(3,2-C)-2'-P-FLUOROPHENYLPYRAZOLE-16,17-ACETONIDE

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=C(F)C=C7

InChI

InChIKey=LJIPTICMFNWNMY-SMIFCPINSA-N

InChI=1S/C31H36F2N2O5/c1-27(2)39-26-12-22-21-10-5-18-11-23-17(15-34-35(23)20-8-6-19(32)7-9-20)13-28(18,3)30(21,33)24(37)14-29(22,4)31(26,40-27)25(38)16-36/h6-9,11,15,21-22,24,26,36-37H,5,10,12-14,16H2,1-4H3/t21-,22-,24-,26+,28-,29-,30-,31+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C31H36F2N2O5
Molecular Weight	554.6247
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 18:08:05 GMT 2025` Edited by `admin` on `Mon Mar 31 18:08:05 GMT 2025`
Record UNII	7AE7D42VJZ
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

2'-P-FLUOROPHENYL-9.ALPHA.-FLUORO-11.BETA.,21-DIHYDROXY-16.ALPHA.,17.ALPHA.-ISOPROPYLIDENEDIOXYPREGN-4-ENO(3,2-C)PYRAZOL-20-ONE

Preferred Name

English

9.ALPHA.-FLUORO-11.BETA.,16.ALPHA.,17.ALPHA,21-TETRAHYDROXYPREGN-4-EN-20-ONE(3,2-C)-2'-P-FLUOROPHENYLPYRAZOLE-16,17-ACETONIDE

Systematic Name

English

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

Systematic Name

English

Code System Code Type Description

CAS

23325-77-1

Created by admin on Mon Mar 31 18:08:05 GMT 2025 , Edited by admin on Mon Mar 31 18:08:05 GMT 2025

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FDA UNII

7AE7D42VJZ

Created by admin on Mon Mar 31 18:08:05 GMT 2025 , Edited by admin on Mon Mar 31 18:08:05 GMT 2025

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PUBCHEM

131801048

Created by admin on Mon Mar 31 18:08:05 GMT 2025 , Edited by admin on Mon Mar 31 18:08:05 GMT 2025

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