6?,9-Difluoro-5',16?-dihydro-11?,21-dihydroxypregna-1,4-dieno(17,16-c)pyrazole-3,20-dione 21-valerate

Details

Stereochemistry	ACHIRAL
Molecular Formula	C27H34F2N2O5
Molecular Weight	504.5661
Optical Activity	UNSPECIFIED
Defined Stereocenters	9 / 9
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 6?,9-Difluoro-5',16?-dihydro-11?,21-dihydroxypregna-1,4-dieno(17,16-c)pyrazole-3,20-dione 21-valerate

Structure Search

SMILES

CCCCC(=O)OCC(=O)[C@@]12N=NC[C@@H]1C[C@H]3[C@@H]4C[C@H](F)C5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]23C

InChI

InChIKey=IVKTWEUOWAMBNB-MOWALVJDSA-N

InChI=1S/C27H34F2N2O5/c1-4-5-6-23(35)36-14-22(34)27-15(13-30-31-27)9-17-18-11-20(28)19-10-16(32)7-8-24(19,2)26(18,29)21(33)12-25(17,27)3/h7-8,10,15,17-18,20-21,33H,4-6,9,11-14H2,1-3H3/t15-,17-,18-,20-,21-,24-,25-,26-,27-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C27H34F2N2O5
Molecular Weight	504.5661
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	9 / 9
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Tue Apr 01 17:44:20 GMT 2025` Edited by `admin` on `Tue Apr 01 17:44:20 GMT 2025`
Record UNII	J47GZ893LE
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Pregna-1,4-dieno[17,16-c]pyrazole-3,20-dione, 6,9-difluoro-5?,16-dihydro-11-hydroxy-21-[(1-oxopentyl)oxy]-, (6?,11?,16?)-

Preferred Name

English

6?,9-Difluoro-5',16?-dihydro-11?,21-dihydroxypregna-1,4-dieno(17,16-c)pyrazole-3,20-dione 21-valerate

Common Name

English

Code System Code Type Description

EPA CompTox

DTXSID70240754