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Substance Name: Methasquin
RN: 18921-69-2
InChIKey: KKGWYCSJUAWOAV-UHFFFAOYSA-L

Molecular Formula

  • C21-H22-N6-O5.2Na

Molecular Weight

  • 482.406
 
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Names and Synonyms

Results Name

  • Methasquin

Synonyms

  • Methasquin
  • N-(4-(((2,4-Diamino-5-methyl-6-quinazolinyl)methyl)amino)benzoyl)-L-aspartic acid disodium salt

Systematic Name

  • L-Aspartic acid, N-(4-(((2,4-diamino-5-methyl-6-quinazolinyl)methyl)amino)benzoyl)-, disodium salt

Registry Numbers

CAS Registry Number

  • 18921-69-2

Related Registry Number

  • 18921-70-5 (Parent)

System Generated Number

  • 0018921692

Molecular Formulas

Molecular Formula

  • C21-H22-N6-O5.2Na

Molecular Formula Fragments

  • C21-H22-N6-O5
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C21H22N6O5.2Na/c1-10-12(4-7-14-17(10)18(22)27-21(23)26-14)9-24-13-5-2-11(3-6-13)19(30)25-15(20(31)32)8-16(28)29;;/h2-7,15,24H,8-9H2,1H3,(H,25,30)(H,28,29)(H,31,32)(H4,22,23,26,27);;/q;2*+1/p-2

InChIKey

KKGWYCSJUAWOAV-UHFFFAOYSA-L

Smiles

n1c(c2c(c(CNc3ccc(C(N[C@@H](CC([O-])=O)C(=O)[O-])=O)cc3)ccc2nc1N)C)N.[Na+].[Na+]