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

Details

Stereochemistry ACHIRAL
Molecular Formula C7H11N3O2
Molecular Weight 169.1811
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of N-Methyl-L-histidine

SMILES

CN[C@@H](CC1=CNC=N1)C(O)=O

InChI

InChIKey=CYZKJBZEIFWZSR-LURJTMIESA-N
InChI=1S/C7H11N3O2/c1-8-6(7(11)12)2-5-3-9-4-10-5/h3-4,6,8H,2H2,1H3,(H,9,10)(H,11,12)/t6-/m0/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
N-Methyl-L-histidine
Systematic Name English
L-Histidine, N-methyl-
Preferred Name English
Code System Code Type Description
FDA UNII
2PJ8BJ33SA
Created by admin on Tue Apr 01 18:46:06 GMT 2025 , Edited by admin on Tue Apr 01 18:46:06 GMT 2025
PRIMARY
EPA CompTox
DTXSID20179585
Created by admin on Tue Apr 01 18:46:06 GMT 2025 , Edited by admin on Tue Apr 01 18:46:06 GMT 2025
PRIMARY
PUBCHEM
90638
Created by admin on Tue Apr 01 18:46:06 GMT 2025 , Edited by admin on Tue Apr 01 18:46:06 GMT 2025
PRIMARY
CHEBI
50601
Created by admin on Tue Apr 01 18:46:06 GMT 2025 , Edited by admin on Tue Apr 01 18:46:06 GMT 2025
PRIMARY
ECHA (EC/EINECS)
246-513-5
Created by admin on Tue Apr 01 18:46:06 GMT 2025 , Edited by admin on Tue Apr 01 18:46:06 GMT 2025
PRIMARY
CAS
24886-03-1
Created by admin on Tue Apr 01 18:46:06 GMT 2025 , Edited by admin on Tue Apr 01 18:46:06 GMT 2025
PRIMARY