ORG-34850

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C35H39NO4S
Molecular Weight	569.753
Optical Activity	UNSPECIFIED
Defined Stereocenters	5 / 5
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@@]12CC[C@@](O)(C#CC3=CC=C(C=C3)S(C)(=O)=O)[C@@]1(C)C[C@]([H])(C4=CC=C(C=C4)N(C)C)C5=C6CCC(=O)C=C6CC[C@@]25[H]

InChI

InChIKey=QEKHVITUSQLEFP-MWCRBXBCSA-N

InChI=1S/C35H39NO4S/c1-34-22-31(24-7-10-26(11-8-24)36(2)3)33-29-16-12-27(37)21-25(29)9-15-30(33)32(34)18-20-35(34,38)19-17-23-5-13-28(14-6-23)41(4,39)40/h5-8,10-11,13-14,21,30-32,38H,9,12,15-16,18,20,22H2,1-4H3/t30-,31+,32-,34-,35-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C35H39NO4S
Molecular Weight	569.753
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	5 / 5
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 18:11:33 GMT 2023` Edited by `admin` on `Sat Dec 16 18:11:33 GMT 2023`
Record UNII	C9937F92KE
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ORG-34850

Code

English

19-NORPREGNA-4,9-DIEN-20-YN-3-ONE, 11-(4-(DIMETHYLAMINO)PHENYL)-17-HYDROXY-21-(4-(METHYLSULFONYL)PHENYL)-, (11.BETA.,17.ALPHA.)-

Systematic Name

English

ORG34850

Code

English

(11.BETA.,17.ALPHA.)-11-(4-(DIMETHYLAMINO)PHENYL)-17-HYDROXY-21-(4-(METHYLSULFONYL)PHENYL)-19-NORPREGNA-4,9-DIEN-20-YN-3-ONE

Systematic Name

English

Code System Code Type Description

FDA UNII

C9937F92KE

Created by admin on Sat Dec 16 18:11:33 GMT 2023 , Edited by admin on Sat Dec 16 18:11:33 GMT 2023

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SMS_ID

100000175271

Created by admin on Sat Dec 16 18:11:33 GMT 2023 , Edited by admin on Sat Dec 16 18:11:33 GMT 2023

PRIMARY

PUBCHEM

9894266

Created by admin on Sat Dec 16 18:11:33 GMT 2023 , Edited by admin on Sat Dec 16 18:11:33 GMT 2023

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