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Substance Name: N-Monodemethyldiltiazem
RN: 85100-17-0
InChIKey: YOMLDISQSWWYOT-UXHICEINSA-N

Molecular Formula

  • C21-H24-N2-O4-S

Molecular Weight

  • 400.497
 
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Names and Synonyms

Name of Substance

  • N-Monodemethyldiltiazem

Synonyms

  • cis-3-(Acetyloxy)-2,3-dihydro-2-(4-methoxyphenyl)-5-(2-(methylamino)ethyl)-1,5-benzothiazepin-4(5H)-one
  • N-Demethyldiltiazem
  • N-Desmethyldiltiazem

Systematic Name

  • 1,5-Benzothiazepin-4(5H)-one, 3-(acetyloxy)-2,3-dihydro-2-(4-methoxyphenyl)-5-(2-(methylamino)ethyl)-, cis-

Registry Numbers

CAS Registry Number

  • 85100-17-0

System Generated Number

  • 0085100170

Structure Descriptors

InChI

1S/C21H24N2O4S/c1-14(24)27-19-20(15-8-10-16(26-3)11-9-15)28-18-7-5-4-6-17(18)23(21(19)25)13-12-22-2/h4-11,19-20,22H,12-13H2,1-3H3/t19-,20+/m1/s1

InChIKey

YOMLDISQSWWYOT-UXHICEINSA-N

Smiles

c12c(cccc2)N(C([C@H](OC(C)=O)[C@@H](S1)c1ccc(cc1)OC)=O)CCNC