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Substance Name: 10-Propargyl-5-deazafolic acid
RN: 115722-29-7
InChIKey: ZMGMVJDUIACEOB-KRWDZBQOSA-N

Molecular Formula

  • C23-H22-N6-O6

Molecular Weight

  • 478.463
 
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Names and Synonyms

Name of Substance

  • 10-Propargyl-5-deazafolic acid

Synonym

  • 10-Pdafa

Systematic Name

  • L-Glutamic acid, N-(4-(((2-amino-1,4-dihydro-4-oxopyrido(2,3-d)pyrimidin-6-yl)methyl)-2-propynylamino)benzoyl)-

Registry Numbers

CAS Registry Number

  • 115722-29-7

System Generated Number

  • 0115722297

Structure Descriptors

InChI

1S/C23H22N6O6/c1-2-9-29(12-13-10-16-19(25-11-13)27-23(24)28-21(16)33)15-5-3-14(4-6-15)20(32)26-17(22(34)35)7-8-18(30)31/h1,3-6,10-11,17H,7-9,12H2,(H,26,32)(H,30,31)(H,34,35)(H3,24,25,27,28,33)/t17-/m0/s1

InChIKey

ZMGMVJDUIACEOB-KRWDZBQOSA-N

Smiles

C([C@@H](NC(c1ccc(cc1)N(CC#C)Cc1cc2c([nH]c(nc2=O)N)nc1)=O)CCC(=O)O)(=O)O