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Substance Name: CB 3705
RN: 5854-11-5
InChIKey: UQFCLENKCDVITL-INIZCTEOSA-N

Note

  • Inhibitor of dihydrofolate reductase & thymidylate synthetase.

Molecular Formula

  • C21-H21-N5-O6

Molecular Weight

  • 439.4259
 
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Names and Synonyms

Name of Substance

  • CB 3705

Synonyms

  • 5,8-Dideazafolic acid
  • CB-3705
  • N-(p-(((2-Amino-4-hydroxy-6-quinazolinyl)methyl)amino)benzoyl)-L-glutamic acid

Systematic Names

  • Glutamic acid, N-(p-(((2-amino-4-hydroxy-6-quinazolinyl)methyl)amino)benzoyl)-, L-
  • L-Glutamic acid, N-(4-(((2-amino-1,4-dihydro-4-oxo-6-quinazolinyl)methyl)amino)benzoyl)-

Registry Numbers

CAS Registry Number

  • 5854-11-5

System Generated Number

  • 0005854115

Structure Descriptors

InChI

1S/C21H21N5O6/c22-21-25-15-6-1-11(9-14(15)19(30)26-21)10-23-13-4-2-12(3-5-13)18(29)24-16(20(31)32)7-8-17(27)28/h1-6,9,16,23H,7-8,10H2,(H,24,29)(H,27,28)(H,31,32)(H3,22,25,26,30)/t16-/m0/s1

InChIKey

UQFCLENKCDVITL-INIZCTEOSA-N

Smiles

c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NCc2ccc3c(c2)c(=O)nc([nH]3)N