2-Thiopheneacetic acid, alpha-hydroxy-alpha-2-thienyl-, (1R,3R,5R)-6,6,9-trimethyl-9-azabicyclo(3.3.1)non-3-yl ester, hydrochloride, rel-

Base Information

• Chemical Name: 2-Thiopheneacetic acid, alpha-hydroxy-alpha-2-thienyl-, (1R,3R,5R)-6,6,9-trimethyl-9-azabicyclo(3.3.1)non-3-yl ester, hydrochloride, rel-
• CAS No.: 32891-29-5
• Molecular Formula: C21H27 N O3 S2 . Cl H
• Molecular Weight: 442.07
• Mol file: 32891-29-5.mol

Synonyms:32891-29-5;SCHEMBL182361;2-Thiopheneacetic acid, alpha-hydroxy-alpha-2-thienyl-, (1R,3R,5R)-6,6,9-trimethyl-9-azabicyclo(3.3.1)non-3-yl ester, hydrochloride, rel-;AKOS040752945;[(1R,3R,5R)-6,6,9-trimethyl-9-azabicyclo[3.3.1]nonan-3-yl] 2-hydroxy-2,2-dithiophen-2-ylacetate;hydrochloride

Chemical Property of 2-Thiopheneacetic acid, alpha-hydroxy-alpha-2-thienyl-, (1R,3R,5R)-6,6,9-trimethyl-9-azabicyclo(3.3.1)non-3-yl ester, hydrochloride, rel-

Chemical Property:

• Boiling Point: 528.7°Cat760mmHg
• Flash Point: 273.5°C
• PSA: 106.25000
• Density: g/cm³
• LogP: 4.98000
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 5
• Exact Mass: 441.1199138
• Heavy Atom Count: 28
• Complexity: 554

Purity/Quality:

99% ^*data from raw suppliers

PG 501 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1(CCC2CC(CC1N2C)OC(=O)C(C3=CC=CS3)(C4=CC=CS4)O)C.Cl
• Isomeric SMILES: CC1(CC[C@@H]2C[C@H](C[C@H]1N2C)OC(=O)C(C3=CC=CS3)(C4=CC=CS4)O)C.Cl
• Therapeutic Function: Antiparkinsonian