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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(CO)=CC(C)=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 Sat Dec 16 10:10:09 GMT 2023
Edited
by admin
on Sat Dec 16 10:10:09 GMT 2023
Record UNII
V4FC3H4Y2E
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
4-HYDROXYMETHYL AMBRISENTAN GLUCURONIDE
Common Name English
DES(4,6-DIMETHYL-2-PYRIMIDINYL)-(4-HYDROXYMETHYL-6-METHYL-2-PYRIMIDINYL)AMBRISENTAN ACYL .BETA.-D-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 Sat Dec 16 10:10:09 GMT 2023 , Edited by admin on Sat Dec 16 10:10:09 GMT 2023
PRIMARY
CAS
1106685-77-1
Created by admin on Sat Dec 16 10:10:09 GMT 2023 , Edited by admin on Sat Dec 16 10:10:09 GMT 2023
PRIMARY
FDA UNII
V4FC3H4Y2E
Created by admin on Sat Dec 16 10:10:09 GMT 2023 , Edited by admin on Sat Dec 16 10:10:09 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE