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Chemical structure of (S)-alpha-Fluoromethylhistidine HCl

GB62234

(S)-alpha-Fluoromethylhistidine HCl

Also known as (2S)-2-amino-2-(fluoromethyl)-3-(1H-imidazol-5-yl)propanoic acid;dihydrochloride

(S)-alpha-Fluoromethylhistidine HCl is a potent irreversible histidine decarboxylase (HDC) inhibitor and glutathione S-transferase inhibitor

ChemicalCAS81839-27-2MW260.0904FormulaC7H12Cl2FN3O2
CAS number
81839-27-2
Molecular weight
260.0904
Formula
C7H12Cl2FN3O2
Solubility
Soluble in DMSO
InChIKey
LIJUCORJKQZTOS-XCUBXKJBSA-N
Catalogue number
GB62234
Brand
GLPBIO
Computed properties PubChem CID 22821409 · TPSA 92 Ų · H-bond donors 5 · H-bond acceptors 5
TPSA
92 Ų
H-bond donors
5
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
15

SMILES C1=C(NC=N1)C[C@@](CF)(C(=O)O)N.Cl.Cl

Computed descriptors from PubChem (CID 22821409), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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