Basic information
- CAS
29617-43-4- Standard SMILES
COc1ccc2c(c1OC)C(=O)O[C@H]2[C@@H]1c2cc3c(cc2CCN1C)OCO3- InChIKey
JZUTXVTYJDCMDU-RBUKOAKNSA-N- Molecular formula
- C21H21NO6
- Average molar mass
- 383.4 g/mol
- Monoisotopic mass
- 383.13688739
Overview
(+)-Hydrastine is a member of isoquinolines.
Names & identifiers
- Preferred name
- (+)-Hydrastine
- IUPAC
- (3R)-6,7-dimethoxy-3-[(5S)-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-3H-2-benzofuran-1-one
- English name
- (+)-BETA-HYDRASTINE
- Molecular formula
- C21H21NO6
- Molecular weight
- 383.39
Names & synonyms
(+)-HydrastineRefChem:1048953(3R)-6,7-dimethoxy-3-((5S)-6-methyl-7,8-dihydro-5H-(1,3)dioxolo(4,5-g)isoquinolin-5-yl)-3H-isobenzofuran-1-one29617-43-4Methylcorftaline(1S,9R)-beta-Hydrastine(+)-beta-HydrastineDTXSID1045611(1S,9R)-(+)-beta-Hydrastine(3R)-6,7-dimethoxy-3-[(5S)-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-3H-2-benzofuran-1-oneNCGC00017332-05Certified Reference Material of Hydrastine
Show more names
ISOCORYNE(+)--Hydrastine(+)-β-HydrastineD-BETA-HYDRASTINE(1s,9r)-(+)-β-hydrastine(1S,9R)-B-hydrastine free base(3R)-6,7-DiMethoxy-3-[(5S)-5,6,7,8-tetrahydro-6-Methyl-1,3-dioxolo[4,5-g]isoquinolin-5-yl]-1(3H)-isobenzofuranone
60594-55-0DTXCID90256111(3H)-Isobenzofuranone, 6,7-dimethoxy-3-[(5S)-5,6,7,8-tetrahydro-6-methyl-1,3-dioxolo[4,5-g]isoquinolin-5-yl]-, (3R)-CAS-29617-43-4SR-01000075622starbld00170611S,9R-HYDRASTINEBiomol-NT_000264
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 66.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 601
Physicochemical properties
- storage temp.
- 20 °C · −20°C
- WGK Germany
- 3 · 3
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- wgk
- 3
Chemistry & industry
Applications
UsesInhibitor of Dopamine biosynthesis.
Suppliers3 total
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
凯试(上海)科技有限公司021-50135380 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
Additional notes
DefinitionChEBI: (+)-Hydrastine is a member of isoquinolines.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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