Cinchonan-9-ol, 6′-methoxy-, (8α,9R)-, mono[[(2,3-dihydro-1,5-dimethyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methylamino]methanesulfonate] (salt)

CAS Registry Number®

97259-64-8

CAS Name

Cinchonan-9-ol, 6′-methoxy-, (8α,9R)-, mono[[(2,3-dihydro-1,5-dimethyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methylamino]methanesulfonate] (salt)

Molecular Formula

C20H24N2O2.C13H17N3O4S

Cite this Page

Cinchonan-9-ol, 6′-methoxy-, (8α,9R)-, mono[[(2,3-dihydro-1,5-dimethyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methylamino]methanesulfonate] (salt).   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=97259-64-8 (retrieved 2024-11-22) (CAS RN: 97259-64-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

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

InChIKey=QAMWRMRIYODDLR-DSXUQNDKSA-N

SMILES

O=C1N(N(C)C(C)=C1N(CS(=O)(=O)O)C)C2=CC=CC=C2.[C@@H](O)(C=1C2=C(C=CC(OC)=C2)N=CC1)[C@]3([N@@]4C[C@H](C=C)[C@](C3)(CC4)[H])[H]

Canonical SMILES

O=C1C(=C(N(N1C=2C=CC=CC2)C)C)N(C)CS(=O)(=O)O.OC(C=1C=CN=C2C=CC(OC)=CC21)C3N4CCC(C3)C(C=C)C4

Other Names for this Substance

  • Cinchonan-9-ol, 6′-methoxy-, (8α,9R)-, mono[[(2,3-dihydro-1,5-dimethyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methylamino]methanesulfonate] (salt)
  • Methanesulfonic acid, [(2,3-dihydro-1,5-dimethyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methylamino]-, compd. with (8α,9R)-6′-methoxycinchonan-9-ol (1:1)

CAS INSIGHTSTM
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