Benzeneacetic acid, α-(hydroxymethyl)-, 8-methyl-8-azabicyclo[3.2.1]oct-3-yl ester, [3(R)-endo]-, sulfate (2:1) (salt)

CAS Registry Number®

300-40-3

CAS Name

Benzeneacetic acid, α-(hydroxymethyl)-, 8-methyl-8-azabicyclo[3.2.1]oct-3-yl ester, [3(R)-endo]-, sulfate (2:1) (salt)

Molecular Formula

C17H23NO3.1/2H2O4S

Cite this Page

Benzeneacetic acid, α-(hydroxymethyl)-, 8-methyl-8-azabicyclo[3.2.1]oct-3-yl ester, [3(R)-endo]-, sulfate (2:1) (salt).   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=300-40-3 (retrieved 2024-11-22) (CAS RN: 300-40-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C17H23NO3.H2O4S/c1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12;1-5(2,3)4/h2-6,13-16,19H,7-11H2,1H3;(H2,1,2,3,4)/t13-,14+,15+,16-;/m0./s1

InChIKey

InChIKey=VJFQPODMEGSXHC-GBQFRTIMSA-N

SMILES

O(C([C@@H](CO)C1=CC=CC=C1)=O)[C@@H]2C[C@]3(N(C)[C@@](C2)(CC3)[H])[H].S(=O)(=O)(O)O

Canonical SMILES

O=C(OC1CC2N(C)C(CC2)C1)C(C=3C=CC=CC3)CO.O=S(=O)(O)O

Other Names for this Substance

  • Benzeneacetic acid, α-(hydroxymethyl)-, 8-methyl-8-azabicyclo[3.2.1]oct-3-yl ester, [3(R)-endo]-, sulfate (2:1) (salt)
  • 1αH,5αH-Tropan-3α-ol, (-)-tropate (ester), sulfate (2:1)

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