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Substance Name: (8alpha,9R)-6'-Methoxycinchonan-9-ol, salt with ((2,3-dihydro-1,5-dimethyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methylamino)methanesulphonic acid (1:1)
RN: 97259-64-8
InChIKey: QAMWRMRIYODDLR-DSXUQNDKSA-N

Molecular Formula

  • C20-H24-N2-O2.C13-H17-N3-O4-S

Molecular Weight

  • 635.7819
 
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Names and Synonyms

Synonym

  • EINECS 306-426-6

Systematic Name

  • (8alpha,9R)-6'-Methoxycinchonan-9-ol, salt with ((2,3-dihydro-1,5-dimethyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methylamino)methanesulphonic acid (1:1)

Registry Numbers

CAS Registry Number

  • 97259-64-8

System Generated Number

  • 0097259648

Molecular Formulas

Molecular Formula

  • C20-H24-N2-O2.C13-H17-N3-O4-S

Molecular Formula Fragments

  • C13-H17-N3-O4-S
  • C20-H24-N2-O2
  • COMPONENT

Structure Descriptors

InChI

1S/C20H24N2O2.C13H17N3O4S/c1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18;1-10-12(14(2)9-21(18,19)20)13(17)16(15(10)3)11-7-5-4-6-8-11/h3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3;4-8H,9H2,1-3H3,(H,18,19,20)/t13-,14-,19-,20+;/m0./s1

InChIKey

QAMWRMRIYODDLR-DSXUQNDKSA-N

Smiles

c1(c(=O)n(n(c1C)C)c1ccccc1)N(CS(=O)(=O)O)C.N12[C@H]([C@@H](c3c4c(ncc3)ccc(c4)OC)O)C[C@@H]([C@H](C1)C=C)CC2