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Substance Name: 2-Desamino-2-methyl-5,8-dideazaisofolic acid
RN: 112887-79-3
InChIKey: XNMGBFXZWCNZAA-SFHVURJKSA-N

Molecular Formula

  • C22-H22-N4-O6

Molecular Weight

  • 438.438
 
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Names and Synonyms

Name of Substance

  • 2-Desamino-2-methyl-5,8-dideazaisofolic acid

Synonyms

  • 2-Deamino-2-methyl-5,8-dideazaisofolic acid
  • DS-M-Iahq

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 112887-79-3

System Generated Number

  • 0112887793

Structure Descriptors

InChI

1S/C22H22N4O6/c1-12-24-17-7-2-13(10-16(17)21(30)25-12)11-23-15-5-3-14(4-6-15)20(29)26-18(22(31)32)8-9-19(27)28/h2-7,10,18,23H,8-9,11H2,1H3,(H,26,29)(H,27,28)(H,31,32)(H,24,25,30)/t18-/m0/s1

InChIKey

XNMGBFXZWCNZAA-SFHVURJKSA-N

Smiles

C([C@@H](NC(c1ccc(cc1)NCc1cc2c(nc([nH]c2cc1)C)=O)=O)CCC(=O)O)(=O)O