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Substance Name: Vephylline - malate (1:1)
RN: 72061-62-2
InChIKey: JYMDAVPCRQCKBG-LREBCSMRSA-N

Molecular Formula

  • C13-H21-N5-O4.C4-H6-O6

Molecular Weight

  • 461.425
 
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Names and Synonyms

Results Name

  • Vephylline - malate (1:1)

Synonym

  • Vephylline-malate

Systematic Name

  • 1H-Purine-2,6-dione, 7-(2-(bis(2-hydroxyethyl)amino)ethyl)-3,7-dihydro-1,3-dimethyl-, (R-(R*,R*))-2,3-dihydroxybutanedioate (1:1) (salt)

Registry Numbers

CAS Registry Number

  • 72061-62-2

Related Registry Number

  • 38285-26-6 (Parent)

System Generated Number

  • 0072061622

Molecular Formulas

Molecular Formula

  • C13-H21-N5-O4.C4-H6-O6

Molecular Formula Fragments

  • C13-H21-N5-O4
  • C4-H6-O6
  • COMPONENT

Structure Descriptors

InChI

1S/C13H21N5O4.C4H6O6/c1-15-11-10(12(21)16(2)13(15)22)18(9-14-11)4-3-17(5-7-19)6-8-20;5-1(3(7)8)2(6)4(9)10/h9,19-20H,3-8H2,1-2H3;1-2,5-6H,(H,7,8)(H,9,10)/t;1-,2-/m.1/s1

InChIKey

JYMDAVPCRQCKBG-LREBCSMRSA-N

Smiles

n1(c2c(nc1)n(C)c(=O)n(C)c2=O)CCN(CCO)CCO.C([C@@H]([C@H](C(=O)O)O)O)(=O)O