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Substance Name: Isoaminopterin
RN: 53661-94-2
InChIKey: IZMQQJRPFCPPQS-NSHDSACASA-N

Molecular Formula

  • C19-H20-N8-O5

Molecular Weight

  • 440.418
 
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Names and Synonyms

Name of Substance

  • Isoaminopterin

Synonyms

  • 4-Amino-4-deoxyisopteroic acid
  • 4-Aminoisofolic acid
  • Iso-Aminopterin
  • NSC 211519

Systematic Name

  • N-(4-(((2,4-Diamino-6-pteridinyl)amino)methyl)benzoyl)-L-glutamic acid

Registry Numbers

CAS Registry Number

  • 53661-94-2

System Generated Number

  • 0053661942

Structure Descriptors

InChI

1S/C19H20N8O5/c20-15-14-16(27-19(21)26-15)23-8-12(25-14)22-7-9-1-3-10(4-2-9)17(30)24-11(18(31)32)5-6-13(28)29/h1-4,8,11H,5-7H2,(H,22,25)(H,24,30)(H,28,29)(H,31,32)(H4,20,21,23,26,27)/t11-/m0/s1

InChIKey

IZMQQJRPFCPPQS-NSHDSACASA-N

Smiles

n1c(c2nc(NCc3ccc(C(N[C@H](C(=O)O)CCC(=O)O)=O)cc3)cnc2nc1N)N