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Details

Stereochemistry ABSOLUTE
Molecular Formula C25H25N5O10
Molecular Weight 555.4935
Optical Activity UNSPECIFIED
Defined Stereocenters 6 / 6
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Ervogastat metabolite M1

SMILES

O[C@H]1[C@H](OC2=CC=CN=C2OC3=CN=CC(=C3)C4=NC=C(C=N4)C(=O)N[C@H]5CCOC5)O[C@@H]([C@@H](O)[C@@H]1O)C(O)=O

InChI

InChIKey=STRNMSLREGQLKI-ZTRDQWSLSA-N
InChI=1S/C25H25N5O10/c31-17-18(32)20(24(35)36)40-25(19(17)33)39-16-2-1-4-27-23(16)38-15-6-12(7-26-10-15)21-28-8-13(9-29-21)22(34)30-14-3-5-37-11-14/h1-2,4,6-10,14,17-20,25,31-33H,3,5,11H2,(H,30,34)(H,35,36)/t14-,17-,18-,19+,20-,25+/m0/s1

HIDE SMILES / InChI

Molecular Formula C25H25N5O10
Molecular Weight 555.4935
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 19:12:48 GMT 2023
Edited
by admin
on Sat Dec 16 19:12:48 GMT 2023
Record UNII
7AQT3Z7LD7
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Ervogastat metabolite M1
Common Name English
(S)-2-((5-(5-((tetrahydrofuran-3-yl)carbamoyl)pyrimidin-2-yl)pyridin-3-yl)oxy)pyridin-3-yl .beta.-glucuronic acid
Systematic Name English
Code System Code Type Description
FDA UNII
7AQT3Z7LD7
Created by admin on Sat Dec 16 19:12:48 GMT 2023 , Edited by admin on Sat Dec 16 19:12:48 GMT 2023
PRIMARY
PUBCHEM
166451399
Created by admin on Sat Dec 16 19:12:48 GMT 2023 , Edited by admin on Sat Dec 16 19:12:48 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE