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Details

Stereochemistry ABSOLUTE
Molecular Formula C34H35NO10S
Molecular Weight 649.7098
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of RALOXIFENE 6-GLUCURONIDE

SMILES

C1CCN(CC1)CCOc2ccc(cc2)C(=O)c3c4ccc(cc4sc3-c5ccc(cc5)O)O[C@@]6([H])[C@@]([H])([C@]([H])([C@@]([H])([C@@]([H])(C(=O)O)O6)O)O)O

InChI

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

Molecular Formula C34H35NO10S
Molecular Weight 649.7098
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 07:41:35 UTC 2021
Edited
by admin
on Sat Jun 26 07:41:35 UTC 2021
Record UNII
446O3AY2S7
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
RALOXIFENE 6-GLUCURONIDE
Common Name English
.BETA.-D-GLUCOPYRANOSIDURONIC ACID, 2-(4-HYDROXYPHENYL)-3-(4-(2-(1-PIPERIDINYL)ETHOXY)BENZOYL)BENZO(B)THIEN-6-YL
Systematic Name English
Code System Code Type Description
PUBCHEM
10100752
Created by admin on Sat Jun 26 07:41:35 UTC 2021 , Edited by admin on Sat Jun 26 07:41:35 UTC 2021
PRIMARY
FDA UNII
446O3AY2S7
Created by admin on Sat Jun 26 07:41:35 UTC 2021 , Edited by admin on Sat Jun 26 07:41:35 UTC 2021
PRIMARY
CAS
174264-50-7
Created by admin on Sat Jun 26 07:41:35 UTC 2021 , Edited by admin on Sat Jun 26 07:41:35 UTC 2021
PRIMARY
Related Record Type Details
PARENT -> METABOLITE
FECAL; PLASMA; URINE