Mecambrine

Base Information

• Chemical Name: Mecambrine
• CAS No.: 1093-07-8
• Molecular Formula: C18H17 N O3
• Molecular Weight: 295.338
• DSSTox Substance ID: DTXSID90911090
• Nikkaji Number: J14.189E
• Wikidata: Q27107306
• Mol file: 1093-07-8.mol

Synonyms:Mecambrine;Fugapavine;(-)-Mecambrine;1093-07-8;C09588;CHEBI:6705;DTXSID90911090;LS-89391;Q27107306;(12S)-11-methylspiro[3,5-dioxa-11-azatetracyclo[6.6.1.02,6.012,15]pentadeca-1(15),2(6),7-triene-14,4'-cyclohexa-2,5-diene]-1'-one;3'-Methyl-2'a,3',4',5'-tetrahydro-2'H,8'H-spiro[cyclohexa-2,5-diene-1,1'-cyclopenta[ij][1,3]dioxolo[4,5-g]isoquinolin]-4-one

Chemical Property of Mecambrine

Chemical Property:

• Boiling Point: 457.6°Cat760mmHg
• Flash Point: 230.5°C
• PSA: 38.77000
• Density: 1.38g/cm³
• LogP: 2.21880
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 295.12084340
• Heavy Atom Count: 22
• Complexity: 553

Purity/Quality:

98%,99%, ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1CCC2=CC3=C(C4=C2C1CC45C=CC(=O)C=C5)OCO3
• Isomeric SMILES: CN1CCC2=CC3=C(C4=C2[C@@H]1CC45C=CC(=O)C=C5)OCO3