Raubasine hydrochloride

Base Information

• Chemical Name: Raubasine hydrochloride
• CAS No.: 4373-34-6
• Molecular Formula: C21H24N2O3•ClH
• Molecular Weight: 388.93
• European Community (EC) Number: 224-471-9
• UNII: I0V9KZN41X
• DSSTox Substance ID: DTXSID301349028
• Wikidata: Q27280219
• ChEMBL ID: CHEMBL1554397
• Mol file: 4373-34-6.mol

Synonyms:19-epiajmalicine;ajmalicine;ajmalicine hydrochloride;ajmalicine, (19alpha,20alpha)-isomer;ajmalicine, (19beta)-isomer;ajmalicine, (19beta,20alpha)-isomer;ajmalicine, (3-beta,19beta)-isomer;ajmalicine, (3beta,19alpha)-isomer;ajmalicine, (3beta,19alpha,20alpha)-isomer;ajmalicine, (hydrochloride(19beta,20alpha))-isomer;ajmalicine, hydrochloride(19alpha)-isomer;ajmalicine, PO4(19alpha)-isomer;akuammigine;delta-yohimbine;Lamuran;raubasine;raubasine HCl;raubasine hydrochloride;rauvasan;tetrahydro-alstonine;tetrahydroalstonine

Chemical Property of Raubasine hydrochloride

Chemical Property:

• Melting Point: 275-300oC
• Boiling Point: 524°Cat760mmHg
• Flash Point: 270.7°C
• PSA: 54.56000
• Density: g/cm³
• LogP: 3.91870
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 388.1553704
• Heavy Atom Count: 27
• Complexity: 606

Purity/Quality:

95-99% ^*data from raw suppliers

AJMALICINE HYDROCHLORIDE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 22-36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1C2CN3CCC4=C(C3CC2C(=CO1)C(=O)OC)NC5=CC=CC=C45.Cl
• Isomeric SMILES: C[C@H]1[C@H]2CN3CCC4=C([C@@H]3C[C@@H]2C(=CO1)C(=O)OC)NC5=CC=CC=C45.Cl