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Substance Name: Azidodiltiazem
RN: 124255-99-8
InChIKey: OAQHBWVZGDGMAV-PKTZIBPZSA-N

Note

  • Proaffinity label for the benzothiazepine receptor.

Molecular Formula

  • C25-H23-N5-O4-S

Molecular Weight

  • 489.5537
 
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Names and Synonyms

Name of Substance

  • Azidodiltiazem

Synonyms

  • (2S-cis)-4-Azido-N-(2-(3,4-dihydro-3-hydroxy-2-(4-methoxyphenyl)-4-oxo-1,5-benzothiazepin-5(2H)-yl)ethyl)benzamide
  • 4-Azido-N-(2-(3,4-dihydro-3-hydroxy-2-(4-methoxyphenyl)-4-oxo-1,5-benzothiazepin-5(2H)-yl)ethyl)benzamide (2S-cis)-
  • 5-(2-(4-Azidobenzoyl)aminoethyl)-2,3,4,5-tetrahydro-3-hydroxy-2-(4-methoxyphenyl)-4-oxo-1,5-benzothiazepine

Systematic Name

  • Benzamide, 4-azido-N-(2-(3,4-dihydro-3-hydroxy-2-(4-methoxyphenyl)-4-oxo-1,5-benzothiazepin-5(2H)-yl)ethyl)-, (2S-cis)-

Registry Numbers

CAS Registry Number

  • 124255-99-8

System Generated Number

  • 0124255998

Structure Descriptors

InChI

1S/C25H23N5O4S/c1-34-19-12-8-16(9-13-19)23-22(31)25(33)30(20-4-2-3-5-21(20)35-23)15-14-27-24(32)17-6-10-18(11-7-17)28-29-26/h2-13,22-23,31H,14-15H2,1H3,(H,27,32)/t22-,23+/m1/s1

InChIKey

OAQHBWVZGDGMAV-PKTZIBPZSA-N

Smiles

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