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Substance Name: Plevitrexed [INN:BAN]
RN: 153537-73-6
UNII: L9P2881C3H
InChIKey: IEJSCSAMMLUINT-NRFANRHFSA-N

Classification Codes

  • Antineoplastic
  • Antineoplastic Agents

Molecular Formula

  • C26-H25-F-N8-O4

Molecular Weight

  • 532.534
 
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Names and Synonyms

Name of Substance

  • Plevitrexed [INN:BAN]
  • ZD 9331

Synonyms

  • (2S)-2-((4-(((2,7-Dimethyl-4-oxo-1,4-dihydroquinazolin-6-yl)methyl)(prop-2-ynyl)amino)-2-fluorobenzoyl)amino)-4-(1H-tetrazol-5-yl)butanoic acid
  • BGC 9331
  • BGC9331
  • NSC 696259
  • Plevitrexed
  • UNII-L9P2881C3H
  • ZD 9331
  • ZD9331

Systematic Names

  • (2S)-2-((4-(((2,7-Dimethyl-4-oxo-1,4-dihydroquinazolin-6-yl)methyl)(prop-2-ynyl)amino)-2-fluorobenzoyl)amino)-4-(1H-tetrazol-5-yl)butanoic acid
  • 1H-Tetrazole-5-butanoic acid, alpha-((4-(((1,4-dihydro-2,7-dimethyl-4-oxo-6-quinazolinyl)methyl)-2-propynylamino)-2-fluorobenzoyl)amino)-, (alphaS)-
  • 1H-Tetrazole-5-butanoic acid, alpha-((4-(((1,4-dihydro-2,7-dimethyl-4-oxo-6-quinazolinyl)methyl)-2-propynylamino)-2-fluorobenzoyl)amino)-, (S)-

Registry Numbers

CAS Registry Number

  • 153537-73-6

FDA UNII

  • L9P2881C3H

Other Registry Number

  • 172521-94-7

System Generated Number

  • 0153537736

Structure Descriptors

InChI

InChI=1S/C26H25FN8O4/c1-4-9-35(13-16-11-19-22(10-14(16)2)28-15(3)29-25(19)37)17-5-6-18(20(27)12-17)24(36)30-21(26(38)39)7-8-23-31-33-34-32-23/h1,5-6,10-12,21H,7-9,13H2,2-3H3,(H,30,36)(H,38,39)(H,28,29,37)(H,31,32,33,34)/t21-/m0/s1

InChIKey

IEJSCSAMMLUINT-NRFANRHFSA-N

Smiles

CC1=NC(=O)c2cc(CN(CC#C)c3ccc(C(=O)N[C@@H](CCc4nnn[nH]4)C(=O)O)c(F)c3)c(C)cc2N1