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

Details

Stereochemistry ABSOLUTE
Molecular Formula C13H14N2O2
Molecular Weight 230.2625
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of MPV-1306

SMILES

C[C@H](C1=CNC=N1)C2=C(C)C(=CC=C2)C(O)=O

InChI

InChIKey=AKQQNNGMIFWCSO-VIFPVBQESA-N
InChI=1S/C13H14N2O2/c1-8-10(4-3-5-11(8)13(16)17)9(2)12-6-14-7-15-12/h3-7,9H,1-2H3,(H,14,15)(H,16,17)/t9-/m0/s1

HIDE SMILES / InChI

Molecular Formula C13H14N2O2
Molecular Weight 230.2625
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 14:39:33 UTC 2023
Edited
by admin
on Sat Dec 16 14:39:33 UTC 2023
Record UNII
OP41H0T9UV
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
MPV-1306
Code English
3-((1S)-1-(1H-IMIDAZOL-5-YL)ETHYL)-2-METHYLBENZOIC ACID
Systematic Name English
BENZOIC ACID, 3-((1S)-1-(1H-IMIDAZOL-5-YL)ETHYL)-2-METHYL-
Common Name English
Code System Code Type Description
PUBCHEM
154926040
Created by admin on Sat Dec 16 14:39:33 UTC 2023 , Edited by admin on Sat Dec 16 14:39:33 UTC 2023
PRIMARY
FDA UNII
OP41H0T9UV
Created by admin on Sat Dec 16 14:39:33 UTC 2023 , Edited by admin on Sat Dec 16 14:39:33 UTC 2023
PRIMARY
CAS
189255-80-9
Created by admin on Sat Dec 16 14:39:33 UTC 2023 , Edited by admin on Sat Dec 16 14:39:33 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE