Basic information
- CAS
20448-86-6- Standard SMILES
CCN(CC)CCCOC(=O)C1(c2ccccc2)CC2CCC1C2- InChIKey
BDNMABJZSXTKAQ-UHFFFAOYSA-N- Molecular formula
- C21H31NO2
- Average molar mass
- 329.5 g/mol
- Monoisotopic mass
- 329.23547923
Overview
Bornaprine is a monoterpenoid.
Names & identifiers
- Preferred name
- 3-(Diethylamino)propyl 2-phenylbicyclo[2.2.1]heptane-2-carboxylate
- IUPAC
- 3-(diethylamino)propyl 2-phenylbicyclo[2.2.1]heptane-2-carboxylate
- English name
- Bornaprine
- Molecular formula
- C21H31NO2
- Molecular weight
- 329.48
Names & synonyms
3-(diethylamino)propyl 2-phenylbicyclo[2.2.1]heptane-2-carboxylateBornaprine (INN)BornaprinSCHEMBL924755orb1739516CHEMBL4297087DTXSID20864944BDNMABJZSXTKAQ-UHFFFAOYSA-NCHEBI:135406HY-121603CS-0082830NS00007463
Show more names
BORNAPRINEBifenazate Impurity 8BORNAPRINE HYDROCHLORIDE3-(Diethylamino)propyl 2-phenyl-2-norbornanecarboxylate2-Phenyl-2-norbornanecarboxylic acid 3-diethylaminopropyl ester2-Phenyl-2-norbornanecarboxylic acid 3-(diethylamino)propyl ester3-(diethylamino)propyl 3-phenylbicyclo[2.2.1]heptane-3-carboxylate2-Phenylbicyclo[2.2.1]heptane-2-carboxylic acid 3-(diethylamino)propyl esterBicyclo[2.2.1]heptane-2-carboxylic acid, 2-phenyl-, 3-(diethylamino)propyl ester
D07302T69964Q4946040
Database identifiers
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 9
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 414
Experimental & physicochemical properties
DrugsPharmaceuticals
Physicochemical properties
- Boiling point
- 434.3 · 434.3±38.0 °C(Predicted)
- Density
- 1.056 · 1.056±0.06 g/cm3(Predicted)
- pka
- 10.05 · 10.05±0.25(Predicted)
- FDA UNII
- 9 M363FGA7J · 9M363FGA7J
- ATC code
- 4 AA11 · N04AA11
- Symbol(GHS)
- 5 · GHS05,GHS06
- Signal word
- Danger
- Hazard statements
- 318 · H318-H302-H331
- Precautionary statements
- 280 · P280-P305+P351+P338-P310-P264-P270-P301+P312-P330-P501-P261-P271-P304+P340-P311-P321-P403+P233-P405-P501
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)
- GHS05,GHS06
- Hazard statements
- H318-H302-H331
- Precautionary statements
- P280-P305+P351+P338-P310-P264-P270-P301+P312-P330-P501-P261-P271-P304+P340-P311-P321-P403+P233-P405-P501
Chemistry & industry
Applications
UsesBornaprine is an anticholinergic agent that can be used in the study of parkinsonism. Bornaprine shows a pA2 value of 7.27[1].
Suppliers10 total
LGM Pharma1-(800)-881-8210 · [email protected]
BOC Sciences16314854226; +8616314854226 · [email protected]
陕西缔都医药化工有限公司029-029-81120477 17792793610 · [email protected]
BOC Sciences16314854226 · [email protected]
上海陶术生物科技股份有限公司13564774135 · [email protected]
Shaanxi Didu New Materials Co. Ltd+86-86-17392712779 +86-13289823923 · [email protected]
杭州洁汉化工有限公司+86-571-86217390; +8618058761490 · [email protected]
career henan chemical co+86-0371-86658258 · [email protected]
TargetMol中国（陶术生物）4008200310 15002144251 · [email protected]
重庆卡兰医药有限公司[email protected]
Additional notes
DefinitionChEBI: Bornaprine is a monoterpenoid.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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