6,16.ALPHA.-DIMETHYL-20-OXO-11.BETA.,17.ALPHA.,21-TRIOL-2'-(P-FLUOROPHENYL)PREGNA-4,6-DIENO(3,2-C)PYRAZOLE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C30H35FN2O4
Molecular Weight	506.6083
Optical Activity	UNSPECIFIED
Defined Stereocenters	8 / 8
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 6,16.ALPHA.-DIMETHYL-20-OXO-11.BETA.,17.ALPHA.,21-TRIOL-2'-(P-FLUOROPHENYL)PREGNA-4,6-DIENO(3,2-C)PYRAZOLE

Structure Search

SMILES

[H][C@@]12C[C@@H](C)[C@](O)(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]3([H])[C@@]2([H])C=C(C)C4=CC5=C(C[C@]34C)C=NN5C6=CC=C(F)C=C6

InChI

InChIKey=HMIRYTLYTWFOPG-STCFIELWSA-N

InChI=1S/C30H35FN2O4/c1-16-9-21-23-10-17(2)30(37,26(36)15-34)29(23,4)13-25(35)27(21)28(3)12-18-14-32-33(24(18)11-22(16)28)20-7-5-19(31)6-8-20/h5-9,11,14,17,21,23,25,27,34-35,37H,10,12-13,15H2,1-4H3/t17-,21+,23+,25+,27-,28+,29+,30+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C30H35FN2O4
Molecular Weight	506.6083
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	7 / 8
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 15:34:57 GMT 2023` Edited by `admin` on `Fri Dec 15 15:34:57 GMT 2023`
Record UNII	5MRT6BJY5E
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

6,16.ALPHA.-DIMETHYL-20-OXO-11.BETA.,17.ALPHA.,21-TRIOL-2'-(P-FLUOROPHENYL)PREGNA-4,6-DIENO(3,2-C)PYRAZOLE

Systematic Name

English

2'H-PREGNA-2,4,6-TRIENO(3,2-C)PYRAZOL-20-ONE, 2'-(4-FLUOROPHENYL)-11,17,21-TRIHYDROXY-6,16-DIMETHYL-, (11.BETA.,16.ALPHA.)-

Systematic Name

English

Code System Code Type Description

CAS

31677-97-1

Created by admin on Fri Dec 15 15:34:57 GMT 2023 , Edited by admin on Fri Dec 15 15:34:57 GMT 2023

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PUBCHEM

134687442

Created by admin on Fri Dec 15 15:34:57 GMT 2023 , Edited by admin on Fri Dec 15 15:34:57 GMT 2023

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FDA UNII

5MRT6BJY5E

Created by admin on Fri Dec 15 15:34:57 GMT 2023 , Edited by admin on Fri Dec 15 15:34:57 GMT 2023

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