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Deacetyldiltiazem

Properties

Image

Occurences in reactions

MNX_ID

MNXM48840

	#reac
in my sandbox	0
in MNXref (generic)	0
in models (compartimentalized)	0

formula

C₂₀H₂₄N₂O₃S

charge

mass

372.15076

reference

InChIKey

NZHUXMZTSSZXSB-MOPGFXCFSA-N

InChI

InChI=1S/C20H24N2O3S/c1-21(2)12-13-22-16-6-4-5-7-17(16)26-19(18(23)20(22)24)14-8-10-15(25-3)11-9-14/h4-11,18-19,23H,12-13H2,1-3H3/t18-,19+/m1/s1

SMILES

COc1ccc([C@@H]2Sc3ccccc3N(CCN(C)C)C(=O)[C@@H]2O)cc1

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:169833 chebi:169833	Deacetyldiltiazem (2S,3S)-5-[2-(dimethylamino)ethyl]-3-hydroxy-2-(4-methoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4-one
hmdb:HMDB0002873	Deacetyldiltiazem (2S,3S)-5-[2-(dimethylamino)ethyl]-3-hydroxy-2-(4-methoxyphenyl)-2,3,4,5-tetrahydro-1,5-benzothiazepin-4-one Deacetyldiltiazem hydrochloride, (cis)-isomer Deacetyldiltiazem hydrochloride, (cis-(+-))-isomer Deacetyldiltiazem hydrochloride, (trans)-isomer Deacetyldiltiazem, (cis)-isomer Desacetyldiltiazem Diltiazem desacetyldiltiazem
hmdb:HMDB02873	secondary/obsolete/fantasy identifier