Basic information
- CAS
6957-27-3- Standard SMILES
COc1ccc(CC2=NCCc3cc(OC)c(OC)cc32)cc1OC- InChIKey
UCJDFFOXXPPGLJ-UHFFFAOYSA-N- Molecular formula
- C20H23NO4
- Average molar mass
- 341.4 g/mol
- Monoisotopic mass
- 341.16270821
Overview
RN given refers to parent cpd
Names & identifiers
- Preferred name
- 1-((3,4-Dimethoxyphenyl)methyl)-3,4-dihydro-6,7-dimethoxyisoquinoline
- IUPAC
- 1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-3,4-dihydroisoquinoline
- English name
- 1-[(3,4-Dimethoxyphenyl)methyl]-3,4-dihydro-6,7-dimethoxyisoquinoline
- Molecular formula
- C20H23NO4
- Molecular weight
- 341.4
Names & synonyms
3,4-Dihydropapaverine6957-27-3PAVERINDTXSID50219827O54G4546NJNSC-661541-((3,4-Dimethoxyphenyl)methyl)-3,4-dihydro-6,7-dimethoxyisoquinolineRefChem:91125DTXCID001423181-(3,4-dimethoxyphenylmethyl)-3,4-dihydro-6,7-dimethoxyisoquinoline230-148-31-(3,4-Dimethoxybenzyl)-6,7-dimethoxy-3,4-dihydroisoquinoline hydrochloride
Show more names
DihydropapaverineDihydropapaverine HCl2,4-DIHYDROPAPAVERINE3,4-DIHYDROPAPAVERINE(WXG01659)3,4-Dihydropapaverine hydrochloride3,4-Dihydro-6,7-dimethoxy-1-(3,4-dimethoxybenzyl)isoquinoline1-[(3,4-dimethoxyphenyl)methyl]-3,4-dihydro-6,7-dimethoxyisoquinoline
1-(3,4-Dimethoxybenzyl)-6,7-dimethoxy-3,4-dihydroisoquinoline1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-3,4-dihydroisoquinolineNSC661543,4-Dihydro papaverineCHEMBL23656621-(3,4-Dimethoxybenzyl)-3,4-dihydro-6,7-dimethoxyisoquinoline3,4-DihydropapaverinPapaverine, dl-3,4-dihydro-
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 49.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 455
Physicochemical properties
- Melting point
- 98 · 98-99 °C
- Boiling point
- 482.6 · 482.6±45.0 °C(Predicted)
- Density
- 1.15 · 1.15±0.1 g/cm3(Predicted)
- pka
- 6.12 · 6.12±0.20(Predicted)
- CAS DataBase Reference
- 6957 · 6957-27-3(CAS DataBase Reference)
- FDA UNII
- 54 G4546NJ · O54G4546NJ
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501
- REACH Registrations
- Active
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Regulatory InformationREACH registered substance: 1-[(3,4-dimethoxyphenyl)methyl]-3,4-dihydro-6,7-dimethoxyisoquinoline (EC: 230-148-3)
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302
- REACH Registrations
- Active
- Precautionary statements
- P264-P270-P301+P312-P330-P501
Chemistry & industry
Applications
Uses3,4-Dihydropapaverine is an impurity of Papaverine (P190500), smooth muscle relaxant found in opium. Vasodilator (cerebral).
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers36 total
陕西缔都新材料有限公司
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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