Basic information
- CAS
483-45-4- Standard SMILES
COc1cc2c(cc1O)CC1c3cc(O)c(OC)cc3CCN1C2- InChIKey
BWUQAWCUJMATJS-UHFFFAOYSA-N- Molecular formula
- C19H21NO4
- Average molar mass
- 327.4 g/mol
- Monoisotopic mass
- 327.14705815
Overview
coreximine has been reported in Corydalis stricta, Guatteria ouregou, and Annona with data available.
Names & identifiers
- Preferred name
- 3,10-Dimethoxy-5,8,13,13a-tetrahydro-6H-isoquinolino(3,2-a)isoquinoline-2,11-diol
- IUPAC
- 3,10-dimethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline-2,11-diol
- English name
- [13aS,(-)]-5,8,13,13a-Tetrahydro-3,10-dimethoxy-6H-dibenzo[a,g]quinolizine-2,11-diol
- Molecular formula
- C19H21NO4
- Molecular weight
- 327.37
Names & synonyms
DTXSID309640453,10-Dimethoxy-5,8,13,13a-tetrahydro-6H-isoquinolino(3,2-a)isoquinoline-2,11-diol3,10-Dimethoxy-5,8,13,13a-tetrahydro-6H-isoquinolino[3,2-a]isoquinoline-2,11-diolRefChem:1065482DTXCID601391761Alkaloid F29BWUQAWCUJMATJS-UHFFFAOYSA-NAKOS0049071533,10-Dimethoxy-5,8,13,13a-tetrahydro-6H-isoquino[3,2-a]isoquinoline-2,11-diol #(S)-(+)-CorexiMine(S)-(+)-5,8,13,13a-Tetrahydro-3,10-diMethoxy-[13aS,(-)]-5,8,13,13a-Tetrahydro-3,10-dimethoxy-6H-dibenzo[a,g]quinolizine-2,11-diol
Show more names
6H-Dibenzo[a,g]quinolizine-2,11-diol, 5,8,13,13a-tetrahydro-3,10-dimethoxy-, (13aS)-(13aS)-3,10-dimethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline-2,11-diol
Database identifiers
- CAS
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 62.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 447
Experimental & physicochemical properties
Melting Point254 - 256 °C
Physical DescriptionSolid
Physicochemical properties
- storage temp.
- Refrigerator
- solubility
- DMSO (Slightly)
- form
- Solid
- color
- Off-White to Pale Brown
- FDA UNII
- 9 T6OLW325N · 9T6OLW325N
Chemistry & industry
Pharmacology
Cellular LocationsCytoplasm
Applications
UsesThe S-(+)-enantiomer of Coreximine
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]
艾吉析科技（上海）有限公司17717235263 17717235263 · [email protected]
Additional notes
DefinitionChEBI: Coreximine is an alkaloid.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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