(+-)-Tetrahydropapaverine

HCID 5418CAS 13074-31-2

Basic information

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is a benzylisoquinoline alkaloid that is norlaudanosoline in which the four phenolic hydrogens have been replaced by methyl groups.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 properties

XLogP
3.2
Topological polar surface area
49 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
6
Heavy atoms
25

Chemistry & industry

Applications

UsesNorlaudanosine or Tetrahydroisoquinoline (THIQ) alkaloid is a tumor multi-drug resistance reversing agent.

Upstream & downstream products

Suppliers31 total

广州隽沐生物科技股份有限公司020-36607679; 13502246435 · [email protected]
湖北瑞玛标物科技有限公司15787879035 15787875101 · [email protected]
广州隽唐科技有限公司020-36607679 13502246435 · [email protected]
安耐吉化学&3A(安徽泽升科技有限公司)021-58432009 400-005-6266 · [email protected]
上海隆盛化工有限公司58099637 13585536065 · [email protected]

Related reactions

27 records

Linked notes

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