N-Methyl-L-histidine

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

Structure Search

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

Molecular Formula	C7H11N3O2
Molecular Weight	169.1811
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 `Tue Apr 01 18:46:06 GMT 2025` Edited by `admin` on `Tue Apr 01 18:46:06 GMT 2025`
Record UNII	2PJ8BJ33SA
Record Status	`Validated (UNII)`
Record Version

Download

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