2'-(4-ACETAMIDOPHENYL)-11.BETA.,17.ALPHA.,21-TRIHYDROXY-16.ALPHA.-METHYL-20-OXO-PREGN-4-ENO(3,2-C)PYRAZOLE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C31H39N3O5
Molecular Weight	533.6585
Optical Activity	UNSPECIFIED
Defined Stereocenters	8 / 8
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 2'-(4-ACETAMIDOPHENYL)-11.BETA.,17.ALPHA.,21-TRIHYDROXY-16.ALPHA.-METHYL-20-OXO-PREGN-4-ENO(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])CCC4=CC5=C(C[C@]34C)C=NN5C6=CC=C(NC(C)=O)C=C6

InChI

InChIKey=IMCJOIHTAOIRCU-AOYOUGPLSA-N

InChI=1S/C31H39N3O5/c1-17-11-24-23-10-5-20-12-25-19(15-32-34(25)22-8-6-21(7-9-22)33-18(2)36)13-29(20,3)28(23)26(37)14-30(24,4)31(17,39)27(38)16-35/h6-9,12,15,17,23-24,26,28,35,37,39H,5,10-11,13-14,16H2,1-4H3,(H,33,36)/t17-,23+,24+,26+,28-,29+,30+,31+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C31H39N3O5
Molecular Weight	533.6585
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 15:08:43 GMT 2023` Edited by `admin` on `Fri Dec 15 15:08:43 GMT 2023`
Record UNII	63MU4B64O2
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

2'-(4-ACETAMIDOPHENYL)-11.BETA.,17.ALPHA.,21-TRIHYDROXY-16.ALPHA.-METHYL-20-OXO-PREGN-4-ENO(3,2-C)PYRAZOLE

Common Name

English

ACETAMIDE, N-(4-((11.BETA.,16.ALPHA.)-11,17,21-TRIHYDROXY-16-METHYL-20-OXO-2'H-PREGNA-2,4-DIENO(3,2-C)PYRAZOL-2'-YL)PHENYL)-

Common Name

English

ACETANILIDE, 4'-(11.BETA.,17,21-TRIHYDROXY-16.ALPHA.-METHYL-20-OXO-2'H-PREGNA-2,4-DIENO(3,2-C)PYRAZOL-2'-YL)-

Systematic Name

English

Code System Code Type Description

PUBCHEM

91810508

Created by admin on Fri Dec 15 15:08:43 GMT 2023 , Edited by admin on Fri Dec 15 15:08:43 GMT 2023

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FDA UNII

63MU4B64O2

Created by admin on Fri Dec 15 15:08:43 GMT 2023 , Edited by admin on Fri Dec 15 15:08:43 GMT 2023

PRIMARY

CAS

24356-59-0

Created by admin on Fri Dec 15 15:08:43 GMT 2023 , Edited by admin on Fri Dec 15 15:08:43 GMT 2023

PRIMARY