94317-64-3 Purity
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Specification
The molecular formula of Demiditraz is C13H16N2.
Demiditraz was created on 2008-03-03 and modified on 2023-12-30.
The IUPAC name of Demiditraz is 2-[(1S)-1-(2,3-dimethylphenyl)ethyl]-1H-imidazole.
The molecular weight of Demiditraz is 200.28 g/mol.
The InChIKey of Demiditraz is FXJRDUKXWHFPND-NSHDSACASA-N.
The Canonical SMILES of Demiditraz is CC1=C(C(=CC=C1)C(C)C2=NC=CN2)C.
The CAS number of Demiditraz is 944263-65-4.
There is 1 hydrogen bond donor count in Demiditraz.
The topological polar surface area of Demiditraz is 28.7 Ų.
Yes, the compound of Demiditraz is canonicalized.