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Substance Name: CB 3988
RN: 112888-26-3
InChIKey: QVJDQRGWHLSUHB-NRFANRHFSA-N

Molecular Formula

  • C26-H23-F3-N4-O6

Molecular Weight

  • 544.484
 
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Names and Synonyms

Name of Substance

  • CB 3988

Synonyms

  • C(2)-Desamino-C(2)methyl-N(10)-propargyl-2'-trifluoromethyl-5,8-dideazfolic acid
  • CB-3988

Systematic Name

  • L-Glutamic acid, N-(4-(((1,4-dihydro-2-methyl-4-oxo-6-quinazolinyl)methyl)-2-propynylamino)-2-(trifluoromethyl)benzoyl)-

Registry Numbers

CAS Registry Number

  • 112888-26-3

System Generated Number

  • 0112888263

Structure Descriptors

InChI

1S/C26H23F3N4O6/c1-3-10-33(13-15-4-7-20-18(11-15)24(37)31-14(2)30-20)16-5-6-17(19(12-16)26(27,28)29)23(36)32-21(25(38)39)8-9-22(34)35/h1,4-7,11-12,21H,8-10,13H2,2H3,(H,32,36)(H,34,35)(H,38,39)(H,30,31,37)/t21-/m0/s1

InChIKey

QVJDQRGWHLSUHB-NRFANRHFSA-N

Smiles

C([C@@H](NC(c1c(cc(cc1)N(CC#C)Cc1cc2c(nc([nH]c2cc1)C)=O)C(F)(F)F)=O)CCC(=O)O)(=O)O