Basic information
- CAS
5627-46-3- Standard SMILES
CN1C2CCC1CC(OC(c1ccccc1)c1ccc(Cl)cc1)C2- InChIKey
OCAXFDULERPAJM-UHFFFAOYSA-N- Molecular formula
- C21H24ClNO
- Average molar mass
- 341.9 g/mol
- Monoisotopic mass
- 341.1546421
Overview
3-[(4-chlorophenyl)-phenylmethoxy]-8-methyl-8-azabicyclo[3.2.1]octane is a diarylmethane.
Names & identifiers
- Preferred name
- Clobenztropine
- IUPAC
- 3-[(4-chlorophenyl)-phenylmethoxy]-8-methyl-8-azabicyclo[3.2.1]octane
- English name
- Clobenztropine
- Molecular formula
- C21H24ClNO
- Molecular weight
- 341.87
Names & synonyms
Clobenztropine5627-46-33-((4-Chlorophenyl)(phenyl)methoxy)-8-methyl-8-azabicyclo[3.2.1]octaneClobenztropine [INN]DTXSID50438973-[(4-chlorophenyl)-phenylmethoxy]-8-methyl-8-azabicyclo[3.2.1]octaneCHEMBL310310M8CDT278F8NCGC00015195-033-[(4-chlorophenyl)(phenyl)methoxy]-8-methyl-8-azabicyclo[3.2.1]octaneClobenztropinumClobenztropina
Show more names
3-(4-Chlorophenylphenylmethoxy)tropane3α-[(4-Chlorophenyl)phenylmethoxy]-8-methyl-8-azabicyclo[3.2.1]octane8-Azabicyclo[3.2.1]octane, 3-[(4-chlorophenyl)phenylmethoxy]-8-methyl-
UNII-M8CDT278F83-(4-Chlorbenzhydryloxy)tropan4-ChloroBZT3beta-4-ChloroBZTBiomol-NT_000054CLOBENZTROPINE [MI]Lopac0_000344MLS002320768
Database identifiers
- CAS
5627-46-3- PubChem CID
- 1687
- DTXSID
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 12.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 389
Physicochemical properties
- FDA UNII
- 8 CDT278F8 · M8CDT278F8
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers1 total
Jilin Chinese Academy of Sciences-yanshen Technology18143011203 · [email protected]
Additional notes
DefinitionChEBI: 3-[(4-chlorophenyl)-phenylmethoxy]-8-methyl-8-azabicyclo[3.2.1]octane is a diarylmethane.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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