Bicyclo[2.2.1]heptane-1-methanesulfonic acid, 7,7-dimethyl-2-oxo-, (1R,4S)-, compd. with (2S,3S)-2-(diphenylmethyl)-N-(phenylmethyl)-1-azabicyclo[2.2.2]octan-3-amine (1:1)

CAS Registry Number®

862543-55-3
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CAS Name

Bicyclo[2.2.1]heptane-1-methanesulfonic acid, 7,7-dimethyl-2-oxo-, (1R,4S)-, compd. with (2S,3S)-2-(diphenylmethyl)-N-(phenylmethyl)-1-azabicyclo[2.2.2]octan-3-amine (1:1)

Molecular Formula

C27H30N2.C10H16O4S

Cite this Page

Bicyclo[2.2.1]heptane-1-methanesulfonic acid, 7,7-dimethyl-2-oxo-, (1R,4S)-, compd. with (2S,3S)-2-(diphenylmethyl)-N-(phenylmethyl)-1-azabicyclo[2.2.2]octan-3-amine (1:1).   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=862543-55-3 (retrieved 2024-08-16) (CAS RN: 862543-55-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C27H30N2.C10H16O4S/c1-4-10-21(11-5-1)20-28-26-24-16-18-29(19-17-24)27(26)25(22-12-6-2-7-13-22)23-14-8-3-9-15-23;1-9(2)7-3-4-10(9,8(11)5-7)6-15(12,13)14/h1-15,24-28H,16-20H2;7H,3-6H2,1-2H3,(H,12,13,14)/t26-,27-;7-,10-/m00/s1

InChIKey

InChIKey=HRPRBIZYBSSUQC-FJIRMZMUSA-N

SMILES

[C@@H]([C@H]1[C@@H](NCC2=CC=CC=C2)C3CCN1CC3)(C4=CC=CC=C4)C5=CC=CC=C5.C(S(=O)(=O)O)[C@]12[C@@](C)(C)[C@](CC1=O)(CC2)[H]

Canonical SMILES

O=C1CC2CCC1(CS(=O)(=O)O)C2(C)C.C=1C=CC(=CC1)CNC2C3CCN(CC3)C2C(C=4C=CC=CC4)C=5C=CC=CC5

Other Names for this Substance

  • Bicyclo[2.2.1]heptane-1-methanesulfonic acid, 7,7-dimethyl-2-oxo-, (1R,4S)-, compd. with (2S,3S)-2-(diphenylmethyl)-N-(phenylmethyl)-1-azabicyclo[2.2.2]octan-3-amine (1:1)