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Substance Name: Marax
RN: 64095-02-9
InChIKey: KPLZEGKSFXSUDJ-PNJKRCBXSA-N

Molecular Formula

  • C21-H27-Cl-N2-O2.C9-H13-N-O.C7-H8-N4-O2.2Cl-H.1/2H2-O4-S

Molecular Weight

  • 1656.4878
 
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Names and Synonyms

Results Name

  • Marax

Synonym

  • Marax

Systematic Name

  • 1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-, mixt. with (R-(R*,S*))-alpha-(1-aminoethyl)benzenemethanol sulfate (2:1) (salt) and 2-(2-(4-((4-chlorophenyl)phenylmethyl)-1-piperazinyl)ethoxy)ethanol dihydrochloride

Registry Numbers

CAS Registry Number

  • 64095-02-9

System Generated Number

  • 0064095029

Molecular Formulas

Molecular Formula

  • C21-H27-Cl-N2-O2.C9-H13-N-O.C7-H8-N4-O2.2Cl-H.1/2H2-O4-S

Molecular Formula Fragments

  • C21-H27-Cl-N2-O2
  • C7-H8-N4-O2
  • C9-H13-N-O
  • Cl-H
  • COMPONENT
  • H2-O4-S

Structure Descriptors

InChI

1S/2C21H27ClN2O2.2C9H13NO.2C7H8N4O2.4ClH.H2O4S/c2*22-20-8-6-19(7-9-20)21(18-4-2-1-3-5-18)24-12-10-23(11-13-24)14-16-26-17-15-25;2*1-7(10)9(11)8-5-3-2-4-6-8;2*1-10-5-4(8-3-9-5)6(12)11(2)7(10)13;;;;;1-5(2,3)4/h2*1-9,21,25H,10-17H2;2*2-7,9,11H,10H2,1H3;2*3H,1-2H3,(H,8,9);4*1H;(H2,1,2,3,4)/t;;2*7-,9-;;;;;;;/m..00......./s1

InChIKey

KPLZEGKSFXSUDJ-PNJKRCBXSA-N

Smiles

C[C@@H]([C@@H](c1ccccc1)O)N.C[C@@H]([C@@H](c1ccccc1)O)N.Cn1c2c(c(=O)n(c1=O)C)[nH]cn2.Cn1c2c(c(=O)n(c1=O)C)[nH]cn2.c1ccc(cc1)C(c2ccc(cc2)Cl)N3CCN(CC3)CCOCCO.c1ccc(cc1)C(c2ccc(cc2)Cl)N3CCN(CC3)CCOCCO.OS(=O)(=O)O.Cl.Cl.Cl.Cl