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Substance Name: 3-(4-Azidobenzoyloxy)diltiazem
RN: 128127-11-7
InChIKey: MPGFEEAANFEWIW-RPBOFIJWSA-N

Molecular Formula

  • C27-H27-N5-O4-S

Molecular Weight

  • 517.6073
 
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Names and Synonyms

Name of Substance

  • 3-(4-Azidobenzoyloxy)diltiazem

Synonyms

  • (2S-cis)-5-(2-(Dimethylamino)ethyl)-2,3,4,5-tetrahydro-2-(4-methoxyphenyl)-4-oxo-1,5-benzothiazepin-3-yl 4-azidobenzoate
  • 3-Abod
  • 5-(2-(Dimethylamino)ethyl)-2,3,4,5-tetrahydro-2-(4-methoxyphenyl)-4-oxo-1,5-benzothiazepin-3-yl 4-azidobenzoate (2S-cis)-

Systematic Name

  • Benzoic acid, 4-azido-, 5-(2-(dimethylamino)ethyl)-2,3,4,5-tetrahydro-2-(4-methoxyphenyl)-4-oxo-1,5-benzothiazepin-3-yl ester, (2S-cis)-

Registry Numbers

CAS Registry Number

  • 128127-11-7

System Generated Number

  • 0128127117

Structure Descriptors

InChI

1S/C27H27N5O4S/c1-31(2)16-17-32-22-6-4-5-7-23(22)37-25(18-10-14-21(35-3)15-11-18)24(26(32)33)36-27(34)19-8-12-20(13-9-19)29-30-28/h4-15,24-25H,16-17H2,1-3H3/t24-,25+/m1/s1

InChIKey

MPGFEEAANFEWIW-RPBOFIJWSA-N

Smiles

COc1ccc(cc1)[C@@H]2Sc3ccccc3N(CCN(C)C)C(=O)[C@@H]2OC(=O)c4ccc(cc4)N=[N+]=[N-]