Octaverine

Base Information

• Chemical Name: Octaverine
• CAS No.: 549-68-8
• Molecular Formula: C23H27 N O5
• Molecular Weight: 397.46
• Hs Code.: 2933499090
• European Community (EC) Number: 208-976-1
• UNII: ZZE2Y51ZIZ
• DSSTox Substance ID: DTXSID1046213
• Nikkaji Number: J6.707E
• Wikidata: Q27295959
• NCI Thesaurus Code: C90894
• ChEMBL ID: CHEMBL1450290
• Mol file: 549-68-8.mol

Synonyms:Octaverine;6,7-Dimethoxy-1-(3,4,5-triethoxyphenyl)isoquinoline;549-68-8;Oktaverine;306935-80-8;Octaverinum;Octaverina;Ottaverina;Ottaverina [DCIT];Octaverinum [INN-Latin];UNII-ZZE2Y51ZIZ;ZZE2Y51ZIZ;Octaverina [INN-Spanish];Octaverine [INN:BAN:DCF];Isoquinoline, 6,7-Dimethoxy-1-(3,4,5-triethoxyphenyl)-;DTXSID1046213;EINECS 208-976-1;NCGC00160538-01;6,7-Dimethoxy-1-(3,4,5-triethoxyphenyl)isoquinolin;SMR000567996;Oktaverin;OCTAVERINE [MI];OCTAVERINE [INN];OCTAVERINE [WHO-DD];SCHEMBL25619;Octaverine [BAN:DCF:INN];MLS001182275;MLS006011683;BIDD:GT0613;CHEMBL1450290;DTXCID9026213;HMS2856M09;Tox21_111881;MFCD00118512;AKOS025393428;CCG-245778;PS-6979;CAS-549-68-8;CS-0322938;FT-0620856;A820528;Q27295959;6,7-Dimethoxy-1-(3,4,5-triethoxyphenyl)-isoquinoline hydrochloride;5-(6,7-Dimethoxyisoquinolin-1-yl)-1,2,3-triethoxybenzene, 6,7-Dimethoxy-1-(3,4,5-triethoxyphenyl)-2-azanaphthalene

Chemical Property of Octaverine

Chemical Property:

• Vapor Pressure: 7.83E-10mmHg at 25°C
• Boiling Point: 505.2°Cat760mmHg
• Flash Point: 179.1°C
• PSA: 59.04000
• Density: 1.13g/cm³
• LogP: 5.11510
• XLogP3: 4.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 9
• Exact Mass: 397.18892296
• Heavy Atom Count: 29
• Complexity: 462

Purity/Quality:

99% ^*data from raw suppliers

6,7-Dimethoxy-1-(3,4,5-triethoxyphenyl)isoquinoline ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC1=CC(=CC(=C1OCC)OCC)C2=NC=CC3=CC(=C(C=C32)OC)OC