Basic information
- CAS
64069-53-0- Standard SMILES
COc1cc2ccnc(Cc3ccc(O)cc3)c2cc1O- InChIKey
XUCRLUHFLBPVRO-UHFFFAOYSA-N- Molecular formula
- C17H15NO3
- Average molar mass
- 281.3 g/mol
- Monoisotopic mass
- 281.10519334
Overview
Juzirine is a member of isoquinolines.
Names & identifiers
- Preferred name
- Juzirine
- IUPAC
- 1-[(4-hydroxyphenyl)methyl]-6-methoxyisoquinolin-7-ol
- English name
- juzirine
- Molecular formula
- C17H15NO3
- Molecular weight
- 281.31
Names & synonyms
Juzirine64069-53-01-[(4-hydroxyphenyl)methyl]-6-methoxyisoquinolin-7-olHYS6BR39QH1-((4-Hydroxyphenyl)methyl)-6-methoxy-7-isoquinolinolDTXSID202142637-Isoquinolinol, 1-((4-hydroxyphenyl)methyl)-6-methoxy-1-((4-hydroxyphenyl)methyl)-6-methoxyisoquinolin-7-olRefChem:150668DTXCID20136754YuzirineUNII-HYS6BR39QH
Show more names
7-Isoquinolinol, 1-[(4-hydroxyphenyl)methyl]-6-methoxy-
orb1696816CHEBI:179577AKOS040752214T323297-hydroxy-1-(4'-hydroxybenzyl)-6-methoxyisoquinoline7-Hydroxy-1-(4-hydroxybenzyl)-6-methoxyisoquinoline1-((4-HYDROXYPHENYL)METHYL)-6-METHOXY-ISOQUINOLIN-7-OL
Database identifiers
- CAS
64069-53-0- PubChem CID
- 3085285
- DTXSID
DTXSID20214263- ChEBI
CHEBI:179577- UNII
- HYS6BR39QH
- Nikkaji
- J3.620.994A
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 62.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 330
Experimental & physicochemical properties
Melting Point203 - 205 °C
Physical DescriptionSolid
Physicochemical properties
- FDA UNII
- 6 BR39QH · HYS6BR39QH
Chemistry & industry
Pharmacology
Cellular LocationsMembrane
Suppliers3 total
上海陶术生物科技股份有限公司13564774135 · [email protected]
TargetMol中国（陶术生物）15002134094 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354 · [email protected]
Additional notes
DefinitionChEBI: Juzirine is a member of isoquinolines.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…