Belladonnine

CAS Registry Number®

510-25-8

CAS Name

Belladonnine

Molecular Formula

C34H42N2O4

Molecular Mass

542.71

Cite this Page

Belladonnine.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=510-25-8 (retrieved 2024-11-23) (CAS RN: 510-25-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C34H42N2O4/c1-35-23-12-13-24(35)19-27(18-23)39-32(37)30-16-17-34(22-8-4-3-5-9-22,31-11-7-6-10-29(30)31)33(38)40-28-20-25-14-15-26(21-28)36(25)2/h3-11,23-28,30H,12-21H2,1-2H3

InChIKey

InChIKey=GERIGMSHTUAXSI-UHFFFAOYSA-N

SMILES

C(OC1CC2N(C)C(C1)CC2)(=O)C3(C=4C(C(C(OC5CC6N(C)C(C5)CC6)=O)CC3)=CC=CC4)C7=CC=CC=C7

Canonical SMILES

O=C(OC1CC2N(C)C(CC2)C1)C3C=4C=CC=CC4C(C(=O)OC5CC6N(C)C(CC6)C5)(C=7C=CC=CC7)CC3

Other Names for this Substance

  • 1,4-Naphthalenedicarboxylic acid, 1,2,3,4-tetrahydro-1-phenyl-, 1,4-bis(8-methyl-8-azabicyclo[3.2.1]oct-3-yl) ester, stereoisomer
  • 1αH,5αH-Tropan-3α-ol, 1,2,3,4-tetrahydro-1-phenyl-1,4-naphthalenedicarboxylate (2:1) (ester)
  • Belladonnine
  • 1,4-Naphthalenedicarboxylic acid, 1,2,3,4-tetrahydro-1-phenyl-, bis(8-methyl-8-azabicyclo[3.2.1]oct-3-yl) ester
  • Ditropyl isatropate

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