Arborine
Basic information
- CAS
6873-15-0- Standard SMILES
Cn1c(Cc2ccccc2)nc(=O)c2ccccc21- InChIKey
XVPZRKIQCKKYNE-UHFFFAOYSA-N- Molecular formula
- C16H14N2O
- Average molar mass
- 250.29 g/mol
- Monoisotopic mass
- 250.11061307
Overview
Arborine is a member of quinazolines.
Names & identifiers
- Preferred name
- Arborine
- IUPAC
- 2-benzyl-1-methylquinazolin-4-one
- English name
- 2-benzyl-1-methyl-quinazolin-4-one
- Molecular formula
- C16H14N2O
- Molecular weight
- 250.3
Names & synonyms
Arborine6873-15-0GlycosineGlycosin2-benzyl-1-methylquinazolin-4-one2-benzyl-1-methyl-1,4-dihydroquinazolin-4-oneD5JUH3HNWF1-Methyl-2-(phenylmethyl)-4(1H)-quinazolinoneNSC-127745DTXSID10218856RefChem:113734DTXCID60141347
Show more names
NSC 127745Glycosine (alkaloid)Arborine, 10 mM in DMSOArborin Glycosin Glycosine1-Methyl-2-(phenylmethyl)quinazolin-4(1H)-one4(1H)-Quinazolinone,1-methyl-2-(phenylmethyl)-Muscarinic acetylcholine receptor,inhibit,Inhibitor,mAChR,Arborine
2-Benzyl-1-methylquinazolin-4(1H)-oneArborinArborin; Glycosin; Glycosine4(1H)-Quinazolinone, 2-benzyl-1-methyl-MLS0029199602-BENZYL-1-METHYL-QUINAZOLIN-4-ONE4(1H)-Quinazolinone, 1-methyl-2-(phenylmethyl)-UNII-D5JUH3HNWF
Database identifiers
- CAS
6873-15-0- PubChem CID
- 63123
- DTXSID
DTXSID10218856- ChEMBL
CHEMBL448122- ChEBI
CHEBI:2803- UNII
- D5JUH3HNWF
- Nikkaji
- J8.854D
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 32.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 371
Experimental & physicochemical properties
Melting Point161 - 162 °C
Physical DescriptionSolid
Physicochemical properties
- Melting point
- 155 · 155-156°
- Boiling point
- 393.43 °C · 393.43°C (rough estimate)
- Density
- 1.0837 · 1.0837 (rough estimate)
- refractive index
- 1.624 · 1.6240 (estimate)
- storage temp.
- -20 °C · Store at -20°C
- solubility
- Soluble in DMSO
- form
- Solid
- pka
- 5.44 · 5.44±0.20(Predicted)
- color
- Off-white to light yellow
- FDA UNII
- 5 JUH3HNWF · D5JUH3HNWF
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Danger
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
- Danger
- Symbol(GHS)
- GHS06
- Hazard statements
- H301-H311-H331
- Precautionary statements
- P261-P264-P270-P271-P280-P302+P352-P304+P340-P310-P330-P361-P403+P233-P405-P501
Chemistry & industry
Pharmacology
Cellular LocationsMembrane
Applications
UsesArborine inhibits the peripheral action of acetylcholine and induces a fall in blood pressure[1][1].
Additional notes
DefinitionChEBI: Arborine is a member of quinazolines.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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