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Diltiazem

CAS Registry Number®

42399-41-7

CAS Name

Diltiazem

Molecular Formula

C22H26N2O4S

Molecular Mass

414.52

Cite this Page

Diltiazem.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=42399-41-7 (retrieved 2024-11-22) (CAS RN: 42399-41-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    212 °C (decomp)

Source(s)

  • (1) Hazardous Substances Data Bank data were obtained from the National Library of Medicine (US)

Other Names and Identifiers

InChI

InChI=1S/C22H26N2O4S/c1-15(25)28-20-21(16-9-11-17(27-4)12-10-16)29-19-8-6-5-7-18(19)24(22(20)26)14-13-23(2)3/h5-12,20-21H,13-14H2,1-4H3/t20-,21+/m1/s1

InChIKey

InChIKey=HSUGRBWQSSZJOP-RTWAWAEBSA-N

SMILES

O(C(C)=O)[C@@H]1[C@@H](SC=2C(N(CCN(C)C)C1=O)=CC=CC2)C3=CC=C(OC)C=C3

Canonical SMILES

O=C(OC1C(=O)N(C=2C=CC=CC2SC1C3=CC=C(OC)C=C3)CCN(C)C)C

Other Names for this Substance

  • 1,5-Benzothiazepin-4(5H)-one, 3-(acetyloxy)-5-[2-(dimethylamino)ethyl]-2,3-dihydro-2-(4-methoxyphenyl)-, (2S,3S)-
  • 1,5-Benzothiazepin-4(5H)-one, 3-(acetyloxy)-5-[2-(dimethylamino)ethyl]-2,3-dihydro-2-(4-methoxyphenyl)-, (2S-cis)-
  • (2S,3S)-3-(Acetyloxy)-5-[2-(dimethylamino)ethyl]-2,3-dihydro-2-(4-methoxyphenyl)-1,5-benzothiazepin-4(5H)-one
  • Diltiazem
  • d-cis-Diltiazem

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