U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS
This repository is under review for potential modification in compliance with Administration directives.

Details

Stereochemistry ABSOLUTE
Molecular Formula C28H30N2O11
Molecular Weight 570.5446
Optical Activity UNSPECIFIED
Defined Stereocenters 6 / 6
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-HYDROXYMETHYL AMBRISENTAN GLUCURONIDE

SMILES

COC([C@H](OC1=NC(C)=CC(CO)=N1)C(=O)O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(O)=O)(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChIKey=HYNPRXQATWYSER-MVTLKLODSA-N
InChI=1S/C28H30N2O11/c1-15-13-18(14-31)30-27(29-15)40-23(25(37)41-26-21(34)19(32)20(33)22(39-26)24(35)36)28(38-2,16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3-13,19-23,26,31-34H,14H2,1-2H3,(H,35,36)/t19-,20-,21+,22-,23+,26-/m0/s1

HIDE SMILES / InChI

Molecular Formula C28H30N2O11
Molecular Weight 570.5446
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 6 / 6
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Mon Mar 31 23:05:26 GMT 2025
Edited
by admin
on Mon Mar 31 23:05:26 GMT 2025
Record UNII
V4FC3H4Y2E
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
DES(4,6-DIMETHYL-2-PYRIMIDINYL)-(4-HYDROXYMETHYL-6-METHYL-2-PYRIMIDINYL)AMBRISENTAN ACYL .BETA.-D-GLUCURONIDE
Preferred Name English
4-HYDROXYMETHYL AMBRISENTAN GLUCURONIDE
Common Name English
.BETA.-D-GLUCOPYRANURONIC ACID, 1-((.ALPHA.S)-.ALPHA.-((4-(HYDROXYMETHYL)-6-METHYL-2-PYRIMIDINYL)OXY)-.BETA.-METHOXY-.BETA.-PHENYLBENZENEPROPANOATE)
Systematic Name English
Code System Code Type Description
PUBCHEM
25183814
Created by admin on Mon Mar 31 23:05:26 GMT 2025 , Edited by admin on Mon Mar 31 23:05:26 GMT 2025
PRIMARY
CAS
1106685-77-1
Created by admin on Mon Mar 31 23:05:26 GMT 2025 , Edited by admin on Mon Mar 31 23:05:26 GMT 2025
PRIMARY
FDA UNII
V4FC3H4Y2E
Created by admin on Mon Mar 31 23:05:26 GMT 2025 , Edited by admin on Mon Mar 31 23:05:26 GMT 2025
PRIMARY
Related Record Type Details
PARENT -> METABOLITE