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Basic information
- CAS
95520-81-3- Standard SMILES
COc1ccc(Cc2ncc(CN3CCN(c4ccccc4OC)CC3)c3cc(OC)c(OC)cc23)cc1OC- InChIKey
PWZXTLHDGIBNLG-UHFFFAOYSA-N- Molecular formula
- C32H37N3O5
- Average molar mass
- 543.7 g/mol
- Monoisotopic mass
- 543.27332129
Names & identifiers
- Preferred name
- Elziverine
- IUPAC
- 1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-4-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]isoquinoline
- English name
- Elziverine
- Molecular formula
- C32H37N3O5
- Molecular weight
- 543.65
Names & synonyms
Elziverine95520-81-3ElziverinaElziverine [INN]ElziverinumElziverinum [Latin]Elziverina [Spanish]UNII-1I2BO467451I2BO46745DTXSID70241867Elziverinum (Latin)6,7-Dimethoxy-4-((4-(o-methoxyphenyl)-1-piperazinyl)methyl)-1-veratrylisoquinoline
Show more names
1-[(3,4-Dimethoxyphenyl)methyl]-6,7-dimethoxy-4-[[4-(2-methoxyphenyl)-1-piperazinyl]methyl]isoquinolineIsoquinoline, 1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-4-[[4-(2-methoxyphenyl)-1-piperazinyl]methyl]-
6,7-dimethoxy-1-(3,4-dimethoxybenzyl)-4-((4-(2-methoxyphenyl)-1-piperazinyl)methyl)isoquinolineIsoquinoline, 1-(3,4-dimethoxyphenyl)-6,7-dimethoxy-4-((4-(2-methoxyphenyl)-1-piperazinyl)methyl)-RefChem:136568DTXCID00164358Ro 22-48391-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-4-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]isoquinoline1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-4-{[4-(2-methoxyphenyl)piperazin-1-yl]methyl}isoquinoline6,7-dimethoxy-1-{(3,4-dimethoxyphenyl)methyl}-4-([4-(2-methoxyphenyl)-1-piperazinyl]methyl)isoquinoline
Database identifiers
- CAS
95520-81-3- PubChem CID
- 65839
- DTXSID
DTXSID70241867- ChEMBL
CHEMBL2104212- UNII
- 1I2BO46745
- Nikkaji
- J326.613C
Properties
Computed structural propertiesFilling in
- XLogP
- 5.3
- Topological polar surface area
- 65.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 10
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 752
Physicochemical properties
- Boiling point
- 682.4 · 682.4±55.0 °C(Predicted)
- Density
- 1.187 · 1.187±0.06 g/cm3(Predicted)
- pka
- 6.6 · 6.60±0.40(Predicted)
- FDA UNII
- 1 I2BO46745 · 1I2BO46745
Chemistry & industry
Applications
UsesElziverine (Ro 22-4839) is a brain circulation improvement agent with vasospasm antispasmodic effects. Elziverine is a calmodulin antagonist. Elziverine inhibits erythrocyte cell membrane rupture, platelet aggregation and lipid peroxidation[1].
Suppliers4 total
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
上海一飞生物科技有限公司021-65675885 18964387627 · [email protected]
TargetMol中国（陶术生物）15002134094 · [email protected]
上海阿摩尔生物科技有限公司13370042665 18916960931 · [email protected]
Related reactions
3 records
Compound notes
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