Dehydrocorydaline
Basic information
- CAS
30045-16-0- Standard SMILES
COc1cc2c(cc1OC)-c1c(C)c3ccc(OC)c(OC)c3c[n+]1CC2- InChIKey
RFKQJTRWODZPHF-UHFFFAOYSA-N- Molecular formula
- C22H24NO4+
- Average molar mass
- 366.4 g/mol
- Monoisotopic mass
- 366.17053325
Overview
Dehydrocorydaline is an alkaloid.
Names & identifiers
- Preferred name
- Dehydrocorydaline
- IUPAC
- 2,3,9,10-tetramethoxy-13-methyl-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium
- English name
- Dehydrocorydaline
- Molecular formula
- C22H24NO4
- Molecular weight
- 0
Names & synonyms
Dehydrocorydaline30045-16-0Dehydrocorydalin2,3,9,10-tetramethoxy-13-methyl-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-iumDTXSID309041832,3,9,10-tetramethoxy-13-methyl-5,6-dihydroisoquinolino(2,1-b)isoquinolin-7-iumRefChem:131482DTXCID10133243713-MethylpalmatineCHEBI:813422,3,9,10-Tetramethoxy-13-methyl-5,6-dihydroisoquinolino[3,2-a]isoquinolin-7-ium7,8,13,13a-Tetradehydro-2,3,9,10-tetramethoxy-13-methylberbinium
Show more names
dehydeocorydalineDEHYDROCORYDALINE98%Dehydrocorydaline, 10 mM in DMSOacetate salt of Dehydrocorydaline5,6-Dihydro-2,3,9,10-tetramethoxy-13-methyldibenzo[a,g]quinolizinium13-Methyl-2,3,9,10-tetramethoxy-5,6-dihydrodibenzo[a,g]quinoliziniumDibenzo[a,g]quinolizinium,5,6-dihydro-2,3,9,10-tetramethoxy-13-methyl-
HY-N0674BDBM50594956s9431CCG-268242AC-34813C17790BRN 1556798isomerdehydrocorydaline
Database identifiers
- CAS
30045-16-0- PubChem CID
- 34781
- DTXSID
DTXSID30904183- ChEMBL
CHEMBL1917176- ChEBI
CHEBI:81342- Nikkaji
- J19.822F
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 40.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 27
- Formal charge
- 1
- Complexity
- 503
Physicochemical properties
- Melting point
- 170 · 170-173℃
- storage temp.
- Inert atmosphere,Room Temperature
- solubility
- Soluble in Chloroform,Dichloromethane,Ethyl Acetate,DMSO,Acetone,etc.
- form
- Cryst.
- color
- Light yellow to yellow
- Stability
- Hygroscopic
- InChI
- 1S/C22H24NO4/c1-13-15-6-7-18(24-2)22(27-5)17(15)12-23-9-8-14-10-19(25-3)20(26-4)11-16(14)21(13)23/h6-7,10-12H,8-9H2,1-5H3/q+1
- InChIKey
- RFKQJTRWODZPHF-UHFFFAOYSA-N
- SMILES
- CC1=C2[N+](CCC3=C2C=C(OC)C(OC)=C3)=CC4=C(OC)C(OC)=CC=C41
- UNSPSC Code
- 41115709 · 41115709
- NACRES
- 77 · NA.77
- Symbol(GHS)
- 8 · GHS08,GHS02
- Signal word
- Danger
- Hazard statements
- 304 · H304-H225
- Precautionary statements
- 501 · P501-P240-P210-P233-P243-P241-P242-P280-P370+P378-P331-P303+P361+P353-P301+P310-P403+P235-P405
- WGK Germany
- 3 · WGK 3
- Storage Class
- 11 · 11 - Combustible Solids
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
- WGK 3
- Signal word
- Danger
- Symbol(GHS)
- GHS08,GHS02
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H304-H225
- Precautionary statements
- P501-P240-P210-P233-P243-P241-P242-P280-P370+P378-P331-P303+P361+P353-P301+P310-P403+P235-P405
Chemistry & industry
Applications
UsesDehydrocordine has analgesic and sedative effects. It was used for content determination/identification/pharmacological experiments, etc.
Upstream & downstream products
Upstream raw materials
Additional notes
DefinitionChEBI: Dehydrocorydaline is an alkaloid.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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