(+-)-Tetrahydropapaverine
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Basic information
- CAS
13074-31-2- Standard SMILES
COc1ccc(CC2NCCc3cc(OC)c(OC)cc32)cc1OC- InChIKey
YXWQTVWJNHKSCC-UHFFFAOYSA-N- Molecular formula
- C20H25NO4
- Average molar mass
- 343.4 g/mol
- Monoisotopic mass
- 343.17835828
Overview
1-(3,4-dimethoxybenzyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline is a benzylisoquinoline alkaloid that is norlaudanosoline in which the four phenolic hydrogens have been replaced by methyl groups. It is a benzylisoquinoline alkaloid, a benzyltetrahydroisoquinoline, an aromatic ether, a polyether and a secondary amino compound.
Names & identifiers
- Preferred name
- (+-)-Tetrahydropapaverine
- IUPAC
- 1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline
- English name
- (+/-)-Tetrahydropapaverine
- Molecular formula
- C20H25NO4
- Molecular weight
- 343.42
Names & synonyms
TETRAHYDROPAPAVERINE13074-31-2RefChem:905518(+-)-Tetrahydropapaverine235-968-51-(3,4-Dimethoxybenzyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolineR-Tetrahydropapaverine50896-90-71-[(3,4-Dimethoxyphenyl)methyl]-1,2,3,4-tetrahydro-6,7-dimethoxyisoquinolineisoquinoline, 1-[(3,4-dimethoxyphenyl)methyl]-1,2,3,4-tetrahydro-6,7-dimethoxy-, hydroiodide1,2,3,4-Tetrahydropapaverine
Show more names
NOR-LAUDANOSINErac-Nor Laudanosine(±)-N-NorlaudanosinePapaverine Impurity E(+/-)-Tetrahydropapaverine(+/-)-TETRAHYDROPAPAVERINE,98%1,2,3,4-Tetrahydro papaverine1,2,3,4-tetrahydro-6,7-dimethoxy-
Tetrahydropapaverin1-((3,4-Dimethoxyphenyl)methyl)-1,2,3,4-tetrahydro-6,7-dimethoxyisoquinolineEINECS 235-968-5Papaverine, 1,2,3,4-tetrahydro-Papaverine EP Impurity E(+/-)-N-NorlaudanosineTimTec1_002724Oprea1_802595
Database identifiers
- CAS
13074-31-2- PubChem CID
- 5418
- DTXSID
DTXSID701018689- ChEMBL
CHEMBL160919- ChEBI
CHEBI:195380- EC Number
- 235-968-5
- Nikkaji
- J317.793I
Properties
Computed structural propertiesFilling in
- XLogP
- 3.2
- Topological polar surface area
- 49 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 407
Chemistry & industry
Applications
UsesNorlaudanosine or Tetrahydroisoquinoline (THIQ) alkaloid is a tumor multi-drug resistance reversing agent.
Upstream & downstream products
Downstream products
Related reactions
27 records
Compound notes
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