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

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C31H37F2N2O8P.H2O
Molecular Weight	652.6199
Optical Activity	UNSPECIFIED
Defined Stereocenters	8 / 8
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

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

Structure Search

SMILES

O.[H][C@@]12C[C@@]3([H])[C@]4([H])CCC5=CC6=C(C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@@]1(OC(C)(C)O2)C(=O)COP(O)(O)=O)C=NN6C7=CC=C(F)C=C7

InChI

InChIKey=NFLDTHDPWZKMOJ-DHAFDYDHSA-N

InChI=1S/C31H37F2N2O8P.H2O/c1-27(2)42-26-12-22-21-10-5-18-11-23-17(15-34-35(23)20-8-6-19(32)7-9-20)13-28(18,3)30(21,33)24(36)14-29(22,4)31(26,43-27)25(37)16-41-44(38,39)40;/h6-9,11,15,21-22,24,26,36H,5,10,12-14,16H2,1-4H3,(H2,38,39,40);1H2/t21-,22-,24-,26+,28-,29-,30-,31+;/m0./s1

HIDE SMILES / InChI

Molecular Formula	H2O
Molecular Weight	18.0153
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Molecular Formula	C31H37F2N2O8P
Molecular Weight	634.6046
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 `Fri Dec 15 15:50:47 GMT 2023` Edited by `admin` on `Fri Dec 15 15:50:47 GMT 2023`
Record UNII	5QM5U5SUW3
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

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

Systematic Name

English

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

Systematic Name

English

Code System Code Type Description

PUBCHEM

133083031

Created by admin on Fri Dec 15 15:50:47 GMT 2023 , Edited by admin on Fri Dec 15 15:50:47 GMT 2023

PRIMARY

CAS

23293-96-1

Created by admin on Fri Dec 15 15:50:47 GMT 2023 , Edited by admin on Fri Dec 15 15:50:47 GMT 2023

PRIMARY

FDA UNII

5QM5U5SUW3

Created by admin on Fri Dec 15 15:50:47 GMT 2023 , Edited by admin on Fri Dec 15 15:50:47 GMT 2023

PRIMARY

Related Record Type Details


					W4AQJ0BFT2

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

ANHYDROUS->SOLVATE


					W4AQJ0BFT2

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

PARENT -> SALT/SOLVATE