Bethanechol
[CAS# 674-38-4]

Identification

• Name: Bethanechol
• Synonyms: 2-Carbamoyloxypropyl-Trimethyl-Ammonium Chloride; 2-Carbamoyloxypropyl-Trimethylammonium Chloride; 2-Aminocarbonyloxypropyl-Trimethyl-Azanium Chloride
• Molecular Formula: C₇H₁₇ClN₂O₂
• Molecular Weight: 196.68
• CAS Registry Number: 674-38-4
• SMILES: C([N+](C)(C)C)C(OC(N)=O)C.[Cl-]
• InChI: 1S/C7H16N2O2.ClH/c1-6(11-7(8)10)5-9(2,3)4;/h6H,5H2,1-4H3,(H-,8,10);1H
• InChIKey: XXRMYXBSBOVVBH-UHFFFAOYSA-N

References

• (1): Min Kyung Kim, Vinna Jo, Dong Woo Lee, Il-Wun Shim and Kang Min Ok. CAU-1 and CAU-2: New tubular alkali metal–organic framework materials, A[CH(CO)(COH)(COH)] (A = K or Rb), CrystEngComm, 2010, 12, 1481.