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Details

Stereochemistry ABSOLUTE
Molecular Formula C31H37F2N2O8P
Molecular Weight 634.6046
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, (11.BETA.,16.ALPHA.)-

SMILES

[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=XXVUSORLISYDAJ-SMIFCPINSA-N
InChI=1S/C31H37F2N2O8P/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)/t21-,22-,24-,26+,28-,29-,30-,31+/m0/s1

HIDE SMILES / InChI

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 Sat Dec 16 05:10:17 GMT 2023
Edited
by admin
on Sat Dec 16 05:10:17 GMT 2023
Record UNII
W4AQJ0BFT2
Record Status Validated (UNII)
Record Version
  • Download
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, (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)-, (11.BETA.,16.ALPHA.)-
Systematic Name English
Code System Code Type Description
FDA UNII
W4AQJ0BFT2
Created by admin on Sat Dec 16 05:10:18 GMT 2023 , Edited by admin on Sat Dec 16 05:10:18 GMT 2023
PRIMARY
CAS
762177-33-3
Created by admin on Sat Dec 16 05:10:18 GMT 2023 , Edited by admin on Sat Dec 16 05:10:18 GMT 2023
PRIMARY
PUBCHEM
133082948
Created by admin on Sat Dec 16 05:10:18 GMT 2023 , Edited by admin on Sat Dec 16 05:10:18 GMT 2023
PRIMARY