Brilanestrant N-glucuronide

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C32H28ClFN2O8
Molecular Weight	623.025
Optical Activity	UNSPECIFIED
Defined Stereocenters	5 / 5
E/Z Centers	2
Charge	0

SHOW SMILES / InChI

Structure of Brilanestrant N-glucuronide

Structure Search

SMILES

CC\C(=C(\C1=CC=C(\C=C\C(O)=O)C=C1)C2=CC3=C(C=C2)N(N=C3)[C@@H]4O[C@@H]([C@@H](O)[C@H](O)[C@H]4O)C(O)=O)C5=CC=C(F)C=C5Cl

InChI

InChIKey=BUCKQXQRPWNUEF-RGBRWQSCSA-N

InChI=1S/C32H28ClFN2O8/c1-2-21(22-10-9-20(34)14-23(22)33)26(17-6-3-16(4-7-17)5-12-25(37)38)18-8-11-24-19(13-18)15-35-36(24)31-29(41)27(39)28(40)30(44-31)32(42)43/h3-15,27-31,39-41H,2H2,1H3,(H,37,38)(H,42,43)/b12-5+,26-21+/t27-,28-,29+,30-,31+/m0/s1

HIDE SMILES / InChI

Approval Year

Name

Type

Language

Brilanestrant N-glucuronide

Common Name

English

(2S,3S,4S,5R,6R)-6-(5-((E)-1-(4-((E)-2-carboxyvinyl)phenyl)-2-(2-chloro-4-fluorophenyl)but-1-en-1-yl)-1H-indazol-1-yl)-3,4,5-trihydroxytetrahydro-2H-pyran-2-carboxylic acid

Systematic Name

English

Code System Code Type Description

FDA UNII

Y8B7UM46FT

Created by admin on Sat Dec 16 19:28:08 GMT 2023 , Edited by admin on Sat Dec 16 19:28:08 GMT 2023

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PUBCHEM

166451429

Created by admin on Sat Dec 16 19:28:08 GMT 2023 , Edited by admin on Sat Dec 16 19:28:08 GMT 2023

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PARENT (METABOLITE)