8-Methyl-8-Azabicyclo[3.2.1]Oct-3-Yl 2-(Phenylsulfanyl)Butanoate Ethanedioate (1:1)
[CAS# 155059-55-5]

Identification

• Name: 8-Methyl-8-Azabicyclo[3.2.1]Oct-3-Yl 2-(Phenylsulfanyl)Butanoate Ethanedioate (1:1)
• Synonyms: Tropine 2-(phenylthio)butanoate oxalate salt
• Molecular Formula: C₂₀H₂₇NO₆S
• Molecular Weight: 409.50
• CAS Registry Number: 155059-55-5
• SMILES: O=C(O)C(=O)O.O=C(OC2CC1N(C)C(CC1)C2)C(Sc3ccccc3)CC
• InChI: 1S/C18H25NO2S.C2H2O4/c1-3-17(22-16-7-5-4-6-8-16)18(20)21-15-11-13-9-10-14(12-15)19(13)2;3-1(4)2(5)6/h4-8,13-15,17H,3,9-12H2,1-2H3;(H,3,4)(H,5,6)
• InChIKey: DBBVWGGNICLTMF-UHFFFAOYSA-N

Properties

• Boiling point: 419.5°C at 760 mmHg (Cal.)
• Flash point: 207.5°C (Cal.)
• Refractive index: (Cal.)