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Diltiazem N-Oxide

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For Research Use Only | Not For Clinical Use
CATAPS142843047
CAS142843-04-7
Structure
Synonyms1,5-Benzothiazepin-4(5H)-one, 3-(acetyloxy)-5-[2-(dimethylamino)ethyl]-2,3-dihydro-2-(4-methoxyphenyl)-, N-oxide, (2S-cis)-,1,5-Benzothiazepin-4(5H)-one, 3-(acetyloxy)-5-[2-(dimethyloxidoamino)ethyl]-2,3-dihydro-2-(4-methoxyphenyl)-, (2S-cis)- (9CI)
IUPAC Name2-[(2S,3S)-3-acetyloxy-2-(4-methoxyphenyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl]-N,N-dimethylethanamine oxide
Molecular Weight430.52
Molecular FormulaC22H26N2O5S
Canonical SMILESCOc1ccc(cc1)[C@@H]2Sc3ccccc3N(CC[N+](C)(C)[O-])C(=O)[C@@H]2OC(=O)C
InChIInChI=1S/C22H26N2O5S/c1-15(25)29-20-21(16-9-11-17(28-4)12-10-16)30-19-8-6-5-7-18(19)23(22(20)26)13-14-24(2,3)27/h5-12,20-21H,13-14H2,1-4H3/t20-,21+/m1/s1
Accurate Mass430.1562
FormatNeat
ShippingRoom Temperature
Size10MG
Storage Conditions-20°C Freezer
SubcategoryChiral molecules
TypeMetabolite
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