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Substance Name: Plevitrexed, (+/-)-
RN: 153538-08-0
UNII: N094EYQ29D
InChIKey: IEJSCSAMMLUINT-UHFFFAOYSA-N

Molecular Weight

  • 532.5335
 
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Names and Synonyms

Name of Substance

  • Plevitrexed, (+/-)-

Synonyms

  • 2H-Tetrazole-5-butanoic acid, alpha-((4-(((3,4-dihydro-2,7-dimethyl-4-oxo-6-quinazolinyl)methyl)-2-propyn-1-ylamino)-2-fluorobenzoyl)amino)-
  • Plevitrexed, (+/-)-
  • UNII-N094EYQ29D

Registry Numbers

CAS Registry Number

  • 153538-08-0

FDA UNII

  • N094EYQ29D

System Generated Number

  • 0153538080

Structure Descriptors

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)

InChIKey

IEJSCSAMMLUINT-UHFFFAOYSA-N

Smiles

Cc1cc2c(cc1CN(CC#C)c3ccc(c(c3)F)C(=O)NC(CCc4[nH]nnn4)C(=O)O)c(=O)nc([nH]2)C