Name: N-Demethyldiltiazem HCl
Rating: 5 (10 reviews)

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HIT ID:HIT212023489
Cas No:130606-60-9;85100-17-0
常用名:N-Demethyldiltiazem HCl
别名:N-Desmethyl Diltiazem Hydrochloride, N-Demethyldiltiazem hydrochloride, N-Demethyl diltiazem hydrochloride
别名:N-Desmethyl Diltiazem Hydrochloride, N-Demethyldiltiazem hydrochloride, N-Demethyl diltiazem hydrochloride
IUPAC:(2S,3S)-2-(4-methoxyphenyl)-5-[2-(methylamino)ethyl]-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepin-3-yl acetate hydrochloride
IUPAC:(2S,3S)-2-(4-methoxyphenyl)-5-[2-(methylamino)ethyl]-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepin-3-yl acetate hydrochloride
InChI key:GIYQYIVUHPJUHS-FDOHDBATSA-N

分子式:C21H25ClN2O4S
分子量:436.95
氢键供体数 (HBD):1
氢键受体数 (HBA):4
LogP:2.344204
SMILES:Cl.CNCCN1c2ccccc2S[C@H]([C@@H](OC(C)=O)C1=O)c1ccc(OC)cc1
SMILES:Cl.CNCCN1c2ccccc2S[C@H]([C@@H](OC(C)=O)C1=O)c1ccc(OC)cc1

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