Basic information
- CAS
5632-52-0- Standard SMILES
CCN(CC)CCOC1(c2ccc(Cl)cc2)CCCCC1- InChIKey
FFCARBNHUSWRGK-UHFFFAOYSA-N- Molecular formula
- C18H28ClNO
- Average molar mass
- 309.9 g/mol
- Monoisotopic mass
- 309.1859422
Overview
Clofenciclan is a small molecule drug. Clofenciclan has a monoisotopic molecular weight of 309.19 Da.
Names & identifiers
- Preferred name
- Clofenciclan
- IUPAC
- 2-[1-(4-chlorophenyl)cyclohexyl]oxy-N,N-diethylethanamine
- English name
- Clofenciclan
- Molecular formula
- C18H28ClNO
- Molecular weight
- 309.87
Names & synonyms
ClofenciclanChlorphencyclan5632-52-0ClofencicianClofenciclaneVeritanClofenciclan [INN]ClofenciclanoClofenciclanumClofenciclane [INN-French]Clofenciclanum [INN-Latin]Clofenciclano [INN-Spanish]
Show more names
CCMO-39-0032-[1-(4-chlorophenyl)cyclohexoxy]ethyl-diethyl-amine2-[1-(4-chlorophenyl)cyclohexyl]oxy-N,N-diethylethanamine2-[1-(4-chlorophenyl)cyclohexyl]oxy-N,N-diethyl-ethanamine2-[[1-(p-Chlorophenyl)cyclohexyl]oxy]-N,N-diethylethanamine2-((1-(4-chlorophenyl)cyclohexyl)oxy)-N,N-diethylethan-1-amineEthanamine, 2-[[1-(4-chlorophenyl)cyclohexyl]oxy]-N,N-diethyl-
KSW 786UNII-P4BVX0D2MXP4BVX0D2MXBRN 2335382SC 12333CHLORPHENECYCLANE2-(1-(p-Chlorophenyl)cyclohexyl)triethylamine2-((1-(p-Chlorophenyl)cyclohexyl)oxy)triethylamine
Database identifiers
- CAS
5632-52-0
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 12.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 7
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 279
Physicochemical properties
- Boiling point
- 145 · 145-152 °C(Press: 0.8 Torr)
- Density
- 1.06 · 1.06±0.1 g/cm3(Predicted)
- pka
- 9.75 · 9.75±0.25(Predicted)
- FDA UNII
- 4 BVX0D2MX · P4BVX0D2MX
- Toxicity
- 50 intraperitoneal · LD50 intraperitoneal in mouse: 142mg/kg
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
- Toxicity
- LD50 intraperitoneal in mouse: 142mg/kg
Chemistry & industry
Suppliers4 total
深圳振强药物研发有限公司+86-0755-66853366 +86-13670046396 · [email protected]
山东诚创蓝海医药科技有限公司0531-58897130 15508676053 · [email protected]
四川嘉瑛莱科技有限责任公司028-64159575 · [email protected]
湖北清北云研医药科技有限责任公司18162595016; 18162595016 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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