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Substance Name: 2-Desamino-2-trifluoromethyl-N(10)-propargyl-5,8-dideazafolic acid
RN: 112887-78-2
InChIKey: JAIAMKVLKOZGKS-IBGZPJMESA-N

Molecular Formula

  • C25-H21-F3-N4-O6

Molecular Weight

  • 530.457
 
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Names and Synonyms

Name of Substance

  • 2-Desamino-2-trifluoromethyl-N(10)-propargyl-5,8-dideazafolic acid

Synonym

  • 2-Deamino-2-tfm-pddf

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 112887-78-2

System Generated Number

  • 0112887782

Structure Descriptors

InChI

1S/C25H21F3N4O6/c1-2-11-32(13-14-3-8-18-17(12-14)22(36)31-24(30-18)25(26,27)28)16-6-4-15(5-7-16)21(35)29-19(23(37)38)9-10-20(33)34/h1,3-8,12,19H,9-11,13H2,(H,29,35)(H,33,34)(H,37,38)(H,30,31,36)/t19-/m0/s1

InChIKey

JAIAMKVLKOZGKS-IBGZPJMESA-N

Smiles

C([C@@H](NC(c1ccc(cc1)N(CC#C)Cc1cc2c(nc([nH]c2cc1)C(F)(F)F)=O)=O)CCC(=O)O)(=O)O