Basic information
- CAS
550-73-2- Standard SMILES
Cc1cc2cc3c(cc2c(Cc2ccc4c(c2)OCO4)n1)OCO3- InChIKey
LLEBCPBJQVCNAD-UHFFFAOYSA-N- Molecular formula
- C19H15NO4
- Average molar mass
- 321.3 g/mol
- Monoisotopic mass
- 321.10010796
Names & identifiers
- Preferred name
- Syntaverin
- IUPAC
- 5-(1,3-benzodioxol-5-ylmethyl)-7-methyl-[1,3]dioxolo[4,5-g]isoquinoline
- English name
- 7-Methyl-5-piperonyl-1,3-dioxolo[4,5-g]isoquinoline
- Molecular formula
- C19H15NO4
- Molecular weight
- 321.33
Names & synonyms
Syntaverin550-73-2UNII-BQ4UIA304Y3-Methyl-6,7-methylenedioxy-1-piperonylisoquinolineBQ4UIA304YBRN 03234025-(1,3-Benzodioxol-5-ylmethyl)-7-methyl-1,3-dioxolo(4,5-g)isoquinolineDTXSID302035424-27-00-06867 (Beilstein Handbook Reference)1,3-Dioxolo(4,5-g)isoquinoline, 5-(1,3-benzodioxol-5-ylmethyl)-7-methyl-1,3-Dioxolo(4,5-g)isoquinoline, 7-methyl-5-piperonyl-ISOQUINOLINE, 3-METHYL-6,7-METHYLENEDIOXY-1-PIPERONYL-
Show more names
Synthaverine7-Methyl-5-piperonyl-1,3-dioxolo[4,5-g]isoquinoline5-(1,3-Benzodioxol-5-ylmethyl)-7-methyl-1,3-dioxolo[4,5-g]isoquinoline1,3-Dioxolo[4,5-g]isoquinoline, 5-(1,3-benzodioxol-5-ylmethyl)-7-methyl-
3-METHYL-6,7-METHYLENEDIOXY-1-PIPERONYLISOQUINOLINE [MI]RefChem:186997DTXCID601260335-[(2H-1,3-BENZODIOXOL-5-YL)METHYL]-7-METHYL-2H-[1,3]DIOXOLO[4,5-G]ISOQUINOLINEQ27274807
Database identifiers
- CAS
550-73-2- PubChem CID
- 11076
- DTXSID
DTXSID30203542- UNII
- BQ4UIA304Y
- Nikkaji
- J53.658J
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 49.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 461
Physicochemical properties
- FDA UNII
- 4 UIA304Y · BQ4UIA304Y
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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