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

Details

Stereochemistry ABSOLUTE
Molecular Formula C34H35NO10S
Molecular Weight 649.707
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of RALOXIFENE 4'-GLUCURONIDE

SMILES

O[C@@H]1[C@@H](O)[C@H](OC2=CC=C(C=C2)C3=C(C(=O)C4=CC=C(OCCN5CCCCC5)C=C4)C6=C(S3)C=C(O)C=C6)O[C@@H]([C@H]1O)C(O)=O

InChI

InChIKey=VHXYPEXOSLGZKH-WKRHDJAJSA-N
InChI=1S/C34H35NO10S/c36-21-8-13-24-25(18-21)46-32(20-6-11-23(12-7-20)44-34-30(40)28(38)29(39)31(45-34)33(41)42)26(24)27(37)19-4-9-22(10-5-19)43-17-16-35-14-2-1-3-15-35/h4-13,18,28-31,34,36,38-40H,1-3,14-17H2,(H,41,42)/t28-,29-,30+,31-,34+/m0/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
RALOXIFENE 4'-GLUCURONIDE
Common Name English
.BETA.-D-GLUCOPYRANOSIDURONIC ACID, 4-(6-HYDROXY-3-(4-(2-(1-PIPERIDINYL)ETHOXY)BENZOYL)BENZO(B)THIEN-2-YL)PHENYL
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID601312492
Created by admin on Sat Dec 16 07:55:00 GMT 2023 , Edited by admin on Sat Dec 16 07:55:00 GMT 2023
PRIMARY
CAS
182507-22-8
Created by admin on Sat Dec 16 07:55:00 GMT 2023 , Edited by admin on Sat Dec 16 07:55:00 GMT 2023
PRIMARY
PUBCHEM
9917566
Created by admin on Sat Dec 16 07:55:00 GMT 2023 , Edited by admin on Sat Dec 16 07:55:00 GMT 2023
PRIMARY
FDA UNII
UZ95WFT3LZ
Created by admin on Sat Dec 16 07:55:00 GMT 2023 , Edited by admin on Sat Dec 16 07:55:00 GMT 2023
PRIMARY