A-348441

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C54H75NO7
Molecular Weight	850.1758
Optical Activity	UNSPECIFIED
Defined Stereocenters	16 / 16
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)C[C@]4([H])C[C@H](CC[C@]4(C)[C@@]3([H])C[C@H](O)[C@]12C)OCCN(C)C5=CC=C(C=C5)[C@H]6C[C@@]7(C)[C@@]([H])(CC[C@@]7(O)C#CC)[C@]8([H])CCC9=CC(=O)CCC9=C68)[C@H](C)CCC(O)=O

InChI

InChIKey=LEUWECPXLBIBOF-NZWIZOFBSA-N

InChI=1S/C54H75NO7/c1-7-22-54(61)24-21-43-40-15-11-34-27-37(56)14-16-39(34)49(40)41(31-52(43,54)4)33-9-12-36(13-10-33)55(6)25-26-62-38-20-23-51(3)35(28-38)29-46(57)50-44-18-17-42(32(2)8-19-48(59)60)53(44,5)47(58)30-45(50)51/h9-10,12-13,27,32,35,38,40-47,50,57-58,61H,8,11,14-21,23-26,28-31H2,1-6H3,(H,59,60)/t32-,35+,38+,40+,41-,42-,43+,44+,45+,46-,47+,50+,51+,52+,53-,54+/m1/s1

HIDE SMILES / InChI

Approval Year

PubMed

Title	Date	PubMed

Patents

Name

Type

Language

A-348441

Common Name

English

(3.BETA.,5.BETA.,7.ALPHA.,12.ALPHA.)-7,12-DIHYDROXY-3-(2-((4-((11.BETA.,17.BETA.)-17-HYDROXY-3-OXO-17-(1-PROPYN-1-YL)ESTRA-4,9-DIEN-11-YL)PHENYL)METHYLAMINO)ETHOXY)CHOLAN-24-OIC ACID

Systematic Name

English

(4R)-4-((3S,5R,7R,8R,9S,10S,12S,13R,14S,17R)-7,12-DIHYDROXY-3-(2-(4-((8S,11R,13S,14S,17S)-17-HYDROXY-13-METHYL-3-OXO-17-PROP-1-YNYL-1,2,6,7,8,11,12,14,15,16-DECAHYDROCYCLOPENTA(A)PHENANTHREN-11-YL)-N-METHYL-ANILINO)ETHOXY)-10,13-DIMETHYL-2,3,4,5,6,7,8,9,

Systematic Name

English

CHOLAN-24-OIC ACID, 7,12-DIHYDROXY-3-(2-((4-((11.BETA.,17.BETA.)-17-HYDROXY-3-OXO-17-(1-PROPYN-1-YL)ESTRA-4,9-DIEN-11-YL)PHENYL)METHYLAMINO)ETHOXY)-, (3.BETA.,5.BETA.,7.ALPHA.,12.ALPHA.)-

Systematic Name

English

Code System Code Type Description

CAS

639520-46-0

Created by admin on Sat Dec 16 11:53:05 GMT 2023 , Edited by admin on Sat Dec 16 11:53:05 GMT 2023

PRIMARY

FDA UNII

7Q26YN85LO

Created by admin on Sat Dec 16 11:53:05 GMT 2023 , Edited by admin on Sat Dec 16 11:53:05 GMT 2023

PRIMARY

PUBCHEM

9854142

Created by admin on Sat Dec 16 11:53:05 GMT 2023 , Edited by admin on Sat Dec 16 11:53:05 GMT 2023

PRIMARY

ACTIVE MOIETY


					7Q26YN85LO

A-348441