Basic information
- CAS
6152-78-9- Standard SMILES
Br.COc1ccc(Cc2nccc3cc(OC)c(OC)cc23)cc1OC- InChIKey
ZOTOKALDLZHMJP-UHFFFAOYSA-N- Molecular formula
- C20H22BrNO4
- Average molar mass
- 420.3 g/mol
Names & identifiers
- Preferred name
- Papaverine hydrobromide
- IUPAC
- 1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxyisoquinoline;hydrobromide
Names & synonyms
papaverine hydrobromideEINECS 228-166-16152-78-9UNII-91M28639H591M28639H5PAPAVERINE HYDROBROMIDE [WHO-DD]ISOQUINOLINE, 1-((3,4-DIMETHOXYPHENYL)METHYL)-6,7-DIMETHOXY-, HYDROBROMIDE (1:1)DTXSID90210515Isoquinoline, 1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-, hydrobromide (1:1)RefChem:169920DTXCID20133006228-166-1
Show more names
1-(3,4-Dimethoxybenzyl)-6,7-dimethoxyisoquinolinium bromideSCHEMBL8691148AKOS000277488Q27271414
Database identifiers
- CAS
6152-78-9- PubChem CID
- 3083940
- UNII
- 91M28639H5
- EC Number
- 228-166-1
Properties
Computed structural properties
- Topological polar surface area
- 49.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 407
Related reactions
1 records
Compound notes
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