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Substance Name: Inosine, 3'-azido-P-(2-cyanoethyl)-3'-deoxythymidylyl-(5'.5')-2',3'-dideoxy-
RN: 129133-42-2
InChIKey: IRDRTUGDIVHHRT-YTMNGRHUSA-N

Molecular Formula

  • C23-H27-N10-O9-P

Molecular Weight

  • 618.5013
 
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Names and Synonyms

Synonyms

  • 3'-Azido-3'-deoxythymidilyl-(5',5')-2',3'-dideoxy-5'-inosinic acid, 2-cyanoethyl ester
  • AZT-P(CyE)-ddI

Systematic Name

  • Inosine, 3'-azido-P-(2-cyanoethyl)-3'-deoxythymidylyl-(5'.5')-2',3'-dideoxy-

Registry Numbers

CAS Registry Number

  • 129133-42-2

System Generated Number

  • 0129133422

Structure Descriptors

InChI

1S/C23H27N10O9P/c1-13-8-32(23(36)29-21(13)34)18-7-15(30-31-25)16(42-18)10-40-43(37,38-6-2-5-24)39-9-14-3-4-17(41-14)33-12-28-19-20(33)26-11-27-22(19)35/h8,11-12,14-18H,2-4,6-7,9-10H2,1H3,(H,26,27,35)(H,29,34,36)/t14-,15?,16-,17+,18-,43?/m1/s1

InChIKey

IRDRTUGDIVHHRT-YTMNGRHUSA-N

Smiles

Cc1cn(c(=O)[nH]c1=O)[C@H]2CC([C@H](O2)COP(=O)(OCCC#N)OC[C@H]3CC[C@H](O3)n4cnc5c4nc[nH]c5=O)N=[N+]=[N-]