Chloromethyl 21-hydroxyajmalan-17-carboxylate--hydrogen chloride (1/1)

Base Information

• Chemical Name: Chloromethyl 21-hydroxyajmalan-17-carboxylate--hydrogen chloride (1/1)
• CAS No.: 40819-93-0
• Molecular Formula: C22H28Cl2N2O3
• Molecular Weight: 439.38
• DSSTox Substance ID: DTXSID90961232
• Mol file: 40819-93-0.mol

Synonyms:DTXSID90961232;Chloromethyl 21-hydroxyajmalan-17-carboxylate--hydrogen chloride (1/1)

Chemical Property of Chloromethyl 21-hydroxyajmalan-17-carboxylate--hydrogen chloride (1/1)

Chemical Property:

• Melting Point: 243-246°
• PSA: 53.01000
• LogP: 3.14910
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 438.1476981
• Heavy Atom Count: 29
• Complexity: 691

Purity/Quality:

LORAJMINE HYDROCHLORIDE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCC1C2CC3C4C5(CC(C2C5C(=O)OCCl)N3C1O)C6=CC=CC=C6N4C.Cl
• Isomeric SMILES: CC[C@@H]1[C@H](N2[C@H]3CC1C4[C@@H]2C[C@@]5([C@H]3N(C6=CC=CC=C65)C)C4C(=O)OCCl)O.Cl
• Uses: Cardiac depressant (anti-arrhythmic).