2?-(4-Fluorophenyl)-11?,17?,21-trihydroxy-16?-methyl-20-oxo-pregn-4-eno[3,2-c]pyrazole

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C29H35FN2O4
Molecular Weight	494.5976
Optical Activity	UNSPECIFIED
Defined Stereocenters	8 / 8
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 2?-(4-Fluorophenyl)-11?,17?,21-trihydroxy-16?-methyl-20-oxo-pregn-4-eno[3,2-c]pyrazole

Structure Search

SMILES

C[C@@H]1C[C@H]2[C@@H]3CCC4=CC5=C(C[C@]4(C)[C@H]3[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CO)C=NN5C6=CC=C(F)C=C6

InChI

InChIKey=YMIFNYJAQYOIPZ-QCGIRGIYSA-N

InChI=1S/C29H35FN2O4/c1-16-10-22-21-9-4-18-11-23-17(14-31-32(23)20-7-5-19(30)6-8-20)12-27(18,2)26(21)24(34)13-28(22,3)29(16,36)25(35)15-33/h5-8,11,14,16,21-22,24,26,33-34,36H,4,9-10,12-13,15H2,1-3H3/t16-,21+,22+,24+,26-,27+,28+,29+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C29H35FN2O4
Molecular Weight	494.5976
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 17:57:16 GMT 2025` Edited by `admin` on `Mon Mar 31 17:57:16 GMT 2025`
Record UNII	2QA63ME84N
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

2?-(4-Fluorophenyl)-11?,17?,21-trihydroxy-16?-methyl-20-oxo-pregn-4-eno[3,2-c]pyrazole

Common Name

English

2?H-Pregna-2,4-dieno[3,2-c]pyrazol-20-one, 2?-(4-fluorophenyl)-11,17,21-trihydroxy-16-methyl-, (11?,16?)-

Preferred Name

English

Code System Code Type Description

FDA UNII

2QA63ME84N

Created by admin on Mon Mar 31 17:57:16 GMT 2025 , Edited by admin on Mon Mar 31 17:57:16 GMT 2025

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CAS

23277-64-7

Created by admin on Mon Mar 31 17:57:16 GMT 2025 , Edited by admin on Mon Mar 31 17:57:16 GMT 2025

PRIMARY