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Chemical structure of 1-Methyl-L-histidine-d3

GC64598

1-Methyl-L-histidine-d3

Also known as (2S)-2-amino-3-[1-(trideuteriomethyl)imidazol-4-yl]propanoic acid

1-Methyl-L-histidine-d3 is the deuterium labeled 1-Methyl-L-histidine

ChemicalCAS91037-48-8MW172.2FormulaC7H8D3N3O2
CAS number
91037-48-8
Molecular weight
172.2
Formula
C7H8D3N3O2
Solubility
H2O : 125 mg/mL (725·90 mM; Need ultrasonic)
InChIKey
BRMWTNUJHUMWMS-FYFSCIFKSA-N
Catalogue number
GC64598
Brand
GLPBIO
Computed properties PubChem CID 71309270 · XLogP -3.3 · TPSA 81.1 Ų · H-bond donors 2
XLogP
-3.3
TPSA
81.1 Ų
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
12

SMILES [2H]C([2H])([2H])N1C=C(N=C1)C[C@@H](C(=O)O)N

Computed descriptors from PubChem (CID 71309270), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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