U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C36H42N2O9
Molecular Weight 646.7267
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BAZEDOXIFENE-5-GLUCURONIDE

SMILES

CC1=C(N(CC2=CC=C(OCCN3CCCCCC3)C=C2)C4=CC=C(O[C@@H]5O[C@@H]([C@@H](O)[C@H](O)[C@H]5O)C(O)=O)C=C14)C6=CC=C(O)C=C6

InChI

InChIKey=PAAXRVKIJQNQMY-VNOFEJHXSA-N
InChI=1S/C36H42N2O9/c1-22-28-20-27(46-36-33(42)31(40)32(41)34(47-36)35(43)44)14-15-29(28)38(30(22)24-8-10-25(39)11-9-24)21-23-6-12-26(13-7-23)45-19-18-37-16-4-2-3-5-17-37/h6-15,20,31-34,36,39-42H,2-5,16-19,21H2,1H3,(H,43,44)/t31-,32-,33+,34-,36+/m0/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
BAZEDOXIFENE-5-GLUCURONIDE
Common Name English
WAY-145096
Common Name English
BZA-5-GLUCURONIDE
Common Name English
.BETA.-D-GLUCOPYRANOSIDURONIC ACID, 1-((4-(2-(HEXAHYDRO-1H-AZEPIN-1-YL)ETHOXY)PHENYL)METHYL)-2-(4-HYDROXYPHENYL)-3-METHYL-1H-INDOL-5-YL
Systematic Name English
1-((4-(2-(HEXAHYDRO-1H-AZEPIN-1-YL)ETHOXY)PHENYL)METHYL)-2-(4-HYDROXYPHENYL)-3-METHYL-1H-INDOL-5-YL .BETA.-D-GLUCOPYRANOSIDURONIC ACID
Systematic Name English
Code System Code Type Description
CAS
328933-56-8
Created by admin on Sat Dec 16 15:54:55 GMT 2023 , Edited by admin on Sat Dec 16 15:54:55 GMT 2023
PRIMARY
FDA UNII
Z271JQC8WY
Created by admin on Sat Dec 16 15:54:55 GMT 2023 , Edited by admin on Sat Dec 16 15:54:55 GMT 2023
PRIMARY
PUBCHEM
9895767
Created by admin on Sat Dec 16 15:54:55 GMT 2023 , Edited by admin on Sat Dec 16 15:54:55 GMT 2023
PRIMARY
EPA CompTox
DTXSID80432461
Created by admin on Sat Dec 16 15:54:55 GMT 2023 , Edited by admin on Sat Dec 16 15:54:55 GMT 2023
PRIMARY