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Substance Name: 4-Amino-4-deoxy-N10-methylpteroic acid, hemihydrochloride
RN: 70844-48-3
UNII: 037BJM6602
InChIKey: WWFYKUISNIJHNQ-UHFFFAOYSA-N

Molecular Formula

  • 2C15-H15-N7-O2.Cl-H

Molecular Weight

  • 687.1219
 
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Names and Synonyms

Name of Substance

  • 4-Amino-4-deoxy-N10-methylpteroic acid, hemihydrochloride

Synonyms

  • 4-Amino-4-deoxy-N10-methylpteroic acid, hemihydrochloride
  • Benzoic acid, 4-(((2,4-diamino-6-pteridinyl)methyl)methylamino)-, hydrochloride (2:1)
  • Methotrexate related compound E
  • Methotrexate related compound E [USP]
  • UNII-037BJM6602

Registry Numbers

CAS Registry Number

  • 70844-48-3

FDA UNII

  • 037BJM6602

System Generated Number

  • 0070844483

Structure Descriptors

InChI

1S/2C15H15N7O2.ClH/c2*1-22(10-4-2-8(3-5-10)14(23)24)7-9-6-18-13-11(19-9)12(16)20-15(17)21-13;/h2*2-6H,7H2,1H3,(H,23,24)(H4,16,17,18,20,21);1H

InChIKey

WWFYKUISNIJHNQ-UHFFFAOYSA-N

Smiles

CN(Cc1cnc2c(n1)c(nc(n2)N)N)c3ccc(cc3)C(=O)O.CN(Cc1cnc2c(n1)c(nc(n2)N)N)c3ccc(cc3)C(=O)O.Cl