Plevitrexed

CAS Registry Number®

153537-73-6
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CAS Name

Plevitrexed

Molecular Formula

C26H25FN8O4

Molecular Mass

532.53

Cite this Page

Plevitrexed.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=153537-73-6 (retrieved 2024-04-27) (CAS RN: 153537-73-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

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

InChIKey=IEJSCSAMMLUINT-NRFANRHFSA-N

SMILES

O=C1C=2C(=CC(C)=C(CN(CC#C)C3=CC(F)=C(C(N[C@@H](CCC=4NN=NN4)C(O)=O)=O)C=C3)C2)NC(C)=N1

Canonical SMILES

O=C1N=C(NC=2C=C(C(=CC12)CN(C3=CC=C(C(=O)NC(C(=O)O)CCC4=NN=NN4)C(F)=C3)CC#C)C)C

Other Names for this Substance

  • 1H-Tetrazole-5-butanoic acid, α-[[4-[[(1,4-dihydro-2,7-dimethyl-4-oxo-6-quinazolinyl)methyl]-2-propynylamino]-2-fluorobenzoyl]amino]-, (αS)-
  • 1H-Tetrazole-5-butanoic acid, α-[[4-[[(1,4-dihydro-2,7-dimethyl-4-oxo-6-quinazolinyl)methyl]-2-propynylamino]-2-fluorobenzoyl]amino]-, (S)-
  • (αS)-α-[[4-[[(1,4-Dihydro-2,7-dimethyl-4-oxo-6-quinazolinyl)methyl]-2-propynylamino]-2-fluorobenzoyl]amino]-1H-tetrazole-5-butanoic acid
  • ZD 9331
  • Plevitrexed

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Deleted or Replaced CAS Registry Numbers

172521-94-7

CAS INSIGHTSTM
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