4-Piperidinecarboxylic acid, 1-(3-cyano-3,3-diphenylpropyl)-4-phenyl-, ethyl ester, hydrochloride (1:1), mixt. with (3-endo)-8-methyl-8-azabicyclo[3.2.1]oct-3-yl α-(hydroxymethyl)benzeneacetate sulfate (2:1)

CAS Registry Number®

55840-97-6

CAS Name

4-Piperidinecarboxylic acid, 1-(3-cyano-3,3-diphenylpropyl)-4-phenyl-, ethyl ester, hydrochloride (1:1), mixt. with (3-endo)-8-methyl-8-azabicyclo[3.2.1]oct-3-yl α-(hydroxymethyl)benzeneacetate sulfate (2:1)

Molecular Formula

C30H32N2O2.C17H23NO3.ClH.1/2H2O4S

Cite this Page

4-Piperidinecarboxylic acid, 1-(3-cyano-3,3-diphenylpropyl)-4-phenyl-, ethyl ester, hydrochloride (1:1), mixt. with (3-endo)-8-methyl-8-azabicyclo[3.2.1]oct-3-yl α-(hydroxymethyl)benzeneacetate sulfate (2:1).   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=55840-97-6 (retrieved 2024-11-22) (CAS RN: 55840-97-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1/C30H32N2O2.C17H23NO3.ClH.H2O4S/c1-2-34-28(33)29(25-12-6-3-7-13-25)18-21-32(22-19-29)23-20-30(24-31,26-14-8-4-9-15-26)27-16-10-5-11-17-27;1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12;;1-5(2,3)4/h3-17H,2,18-23H2,1H3;2-6,13-16,19H,7-11H2,1H3;1H;(H2,1,2,3,4)/t;13-,14+,15+,16?;;

InChIKey

InChIKey=HKIGPMUNBXIAHY-GGOMQESONA-N

SMILES

C(CCN1CCC(C(OCC)=O)(CC1)C2=CC=CC=C2)(C#N)(C3=CC=CC=C3)C4=CC=CC=C4.Cl.S(=O)(=O)(O)O.O(C(C(CO)C1=CC=CC=C1)=O)[C@H]2C[C@@]3(N(C)[C@](C2)(CC3)[H])[H]

Canonical SMILES

Cl.N#CC(C=1C=CC=CC1)(C=2C=CC=CC2)CCN3CCC(C(=O)OCC)(C=4C=CC=CC4)CC3.O=C(OC1CC2N(C)C(CC2)C1)C(C=3C=CC=CC3)CO.O=S(=O)(O)O

Other Names for this Substance

  • 4-Piperidinecarboxylic acid, 1-(3-cyano-3,3-diphenylpropyl)-4-phenyl-, ethyl ester, hydrochloride (1:1), mixt. with (3-endo)-8-methyl-8-azabicyclo[3.2.1]oct-3-yl α-(hydroxymethyl)benzeneacetate sulfate (2:1)
  • 4-Piperidinecarboxylic acid, 1-(3-cyano-3,3-diphenylpropyl)-4-phenyl-, ethyl ester, monohydrochloride, mixt. with endo-(±)-8-methyl-8-azabicyclo[3.2.1]oct-3-yl α-(hydroxymethyl)benzeneacetate sulfate (2:1) (salt)
  • 4-Piperidinecarboxylic acid, 1-(3-cyano-3,3-diphenylpropyl)-4-phenyl-, ethyl ester, monohydrochloride, mixt. with (3-endo)-8-methyl-8-azabicyclo[3.2.1]oct-3-yl α-(hydroxymethyl)benzeneacetate sulfate (2:1) (salt)
  • Benzeneacetic acid, α-(hydroxymethyl)-8-methyl-8-azabicyclo[3.2.1]oct-3-yl ester endo-, sulfate (2:1) (salt), mixt. contg.
  • Benzeneacetic acid, α-(hydroxymethyl)- (3-endo)-8-methyl-8-azabicyclo[3.2.1]oct-3-yl ester, sulfate (2:1) (salt), mixt. contg.

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