Dihydronitidine
Basic information
- CAS
13063-06-4- Standard SMILES
COc1cc2c(cc1OC)-c1ccc3cc4c(cc3c1N(C)C2)OCO4- InChIKey
MTVOSXTZNVKGIF-UHFFFAOYSA-N- Molecular formula
- C21H19NO4
- Average molar mass
- 349.4 g/mol
- Monoisotopic mass
- 349.13140809
Overview
Dihydronitidine has been reported in Zanthoxylum myriacanthum, Toddalia asiatica, and other organisms with data available.
Names & identifiers
- Preferred name
- Dihydronitidine
- IUPAC
- 2,3-dimethoxy-12-methyl-13H-[1,3]benzodioxolo[5,6-c]phenanthridine
- English name
- dihydronitidine
- Molecular formula
- C21H19NO4
- Molecular weight
- 349.38
Names & synonyms
Dihydronitidine13063-06-4Nitidine, dihydro-DTXSID20156654RefChem:920235DTXCID9079145NSC254666C21H19NO4[1,3]Benzodioxolo[5,6-c]phenanthridine, 12,13-dihydro-2,3-dimethoxy-12-methyl-NITIDINE, DIHYDRO2,3-dimethoxy-12-methyl-13H-[1,3]benzodioxolo[5,6-c]phenanthridine(1,3)Benzodioxolo(5,6-c)phenanthridine, 12,13-dihydro-2,3-dimethoxy-12-methyl-
Show more names
12,13-Dihydro-2,3-dimethoxy-12-methyl[1,3]benzodioxolo[5,6-c]phenanthridine
CHEMBL487807orb1942217SCHEMBL11749474SCHEMBL30463524MTVOSXTZNVKGIF-UHFFFAOYSA-NHY-N11979AT46100NSC 254666
Database identifiers
- CAS
13063-06-4- PubChem CID
- 99641
- DTXSID
DTXSID20156654- ChEMBL
CHEMBL487807- Nikkaji
- J109.956F
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 40.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 516
Experimental & physicochemical properties
SpringerMaterials PropertiesChemical shift
Physicochemical properties
- Melting point
- 221 · 221-223 °C(Solv: ethanol (64-17-5))
- Boiling point
- 557.6 · 557.6±50.0 °C(Predicted)
- Density
- 1.291 · 1.291±0.06 g/cm3(Predicted)
- pka
- 2.38 · 2.38±0.20(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Applications
UsesDihydronitidine is an alkaloid can be extracted from Zanthoxylum rhoifolium[1].
Upstream & downstream products
Downstream products
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Related reactions
0 records
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Compound notes
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