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Details

Stereochemistry ABSOLUTE
Molecular Formula C36H42N2O9
Molecular Weight 646.7281
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BAZEDOXIFENE-5-GLUCURONIDE

SMILES

Cc1c2cc(ccc2n(Cc3ccc(cc3)OCCN4CCCCCC4)c1-c5ccc(cc5)O)O[C@@]6([H])[C@@]([H])([C@]([H])([C@@]([H])([C@@]([H])(C(=O)O)O6)O)O)O

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

Molecular Formula C36H42N2O9
Molecular Weight 646.7281
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 Jun 26 06:09:24 UTC 2021
Edited
by admin
on Sat Jun 26 06:09:24 UTC 2021
Record UNII
Z271JQC8WY
Record Status Validated (UNII)
Record Version
  • Download
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 Jun 26 06:09:24 UTC 2021 , Edited by admin on Sat Jun 26 06:09:24 UTC 2021
PRIMARY
FDA UNII
Z271JQC8WY
Created by admin on Sat Jun 26 06:09:24 UTC 2021 , Edited by admin on Sat Jun 26 06:09:24 UTC 2021
PRIMARY
PUBCHEM
9895767
Created by admin on Sat Jun 26 06:09:24 UTC 2021 , Edited by admin on Sat Jun 26 06:09:24 UTC 2021
PRIMARY
Related Record Type Details
PARENT -> METABOLITE
MAJOR
PLASMA