[3H](R)-α-methylhistamine   

GtoPdb Ligand ID: 1237

Synonyms: (R)-[3H]α-methylhistamine | [3H]-R-α-Methylhistamine
   
Compound class: Synthetic organic
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 2
Hydrogen bond donors 2
Rotatable bonds 2
Topological polar surface area 54.7
Molecular weight 125.1
XLogP -0.29
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES CC(Cc1cnc[nH]1)N
Isomeric SMILES C[C@H](Cc1cnc[nH]1)N
InChI InChI=1S/C6H11N3/c1-5(7)2-6-3-8-4-9-6/h3-5H,2,7H2,1H3,(H,8,9)/t5-/m1/s1
InChI Key XNQIOISZPFVUFG-RXMQYKEDSA-N
Classification
Compound class Synthetic organic
IUPAC Name
(2R)-1-(3H-imidazol-4-yl)propan-2-amine
Synonyms
(R)-[3H]α-methylhistamine | [3H]-R-α-Methylhistamine
Database Links
ChEMBL Ligand CHEMBL268229
GtoPdb PubChem SID 135651165
PubChem CID 156615
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