THPV HBr
Basic information
- CAS
16659-88-4- Standard SMILES
Oc1ccc(CC2[NH2+]CCc3cc(O)c(O)cc32)cc1O.[Br-]- InChIKey
WAADYLVPNMRUKN-UHFFFAOYSA-N- Molecular formula
- C16H18BrNO4
- Average molar mass
- 368.22 g/mol
- Monoisotopic mass
- 367.04192
Overview
See also: Tetrahydropapaveroline hydrobromide (preferred).
Names & identifiers
- Preferred name
- THPV HBr
- IUPAC
- 1-[(3,4-dihydroxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-6,7-diol bromide
Names & synonyms
THPV HBrTetrahydropapaveroline bromide1,2,3,4-Tetrahydropapaveroline HBrNSC 118071Bromhydrate de tetrahydropapaveroline [French]UNII-D7HN447UC9Papaveroline, 1,2,3,4-tetrahydro-, hydrobromideBromhydrate de tetrahydropapaverolineAKOS0158972491,2,3,4-Tetrahydro-1-(3,4-dihydroxybenzyl)-6,7-isoquinolinediol hydrobromide6,7-ISOQUINOLINEDIOL, 1,2,3,4-TETRAHYDRO-1-(3,4-DIHYDROXYBENZYL)-, HYDROBROMIDE6,7-Isoquinolinediol, 1-((3,4-dihydroxyphenyl)methyl)-1,2,3,4-tetrahydro-, HBr
Database identifiers
- CAS
16659-88-4- PubChem CID
- 27976
Properties
Computed structural properties
- Topological polar surface area
- 97.5 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 353
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Related reactions
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Compound notes
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