Basic information
- CAS
59767-12-3- Standard SMILES
CC(OCCN1CCCCCCC1)(c1ccccc1)c1ccc(Cl)cc1- InChIKey
UTJCUSNUTZBJBU-UHFFFAOYSA-N- Molecular formula
- C23H30ClNO
- Average molar mass
- 371.9 g/mol
- Monoisotopic mass
- 371.2015923
Names & identifiers
- Preferred name
- Octastine
- IUPAC
- 1-[2-[1-(4-chlorophenyl)-1-phenylethoxy]ethyl]azocane
- English name
- Octastine
- Molecular formula
- C23H30ClNO
- Molecular weight
- 371.94
Names & synonyms
Octastine59767-12-3OctastinaOctastine [INN]OctastinumWF97ZA9NZVUNII-WF97ZA9NZV1-(2-(4-Chlor-alpha-methylbenzhydryloxy)ethyl)azocan1-(2-((p-Chloro-alpha-methyl-alpha-phenylbenzyl)oxy)ethyl)octahydroazocine1-(2-((P-CHLORO-.ALPHA.-METHYL-.ALPHA.-PHENYLBENZYL)OXY)ETHYL)OCTAHYDROAZOCINERefChem:1678391-[2-[1-(4-chlorophenyl)-1-phenylethoxy]ethyl]azocane
Show more names
Azocine, 1-[2-[1-(4-chlorophenyl)-1-phenylethoxy]ethyl]octahydro-1-[2-[(p-Chloro-α-methyl-α-phenylbenzyl)oxy]ethyl]octahydroazocine
1-{2-[1-(4-Chlorophenyl)-1-phenylethoxy]ethyl}azocaneSCHEMBL1816095CHEMBL1742407DTXSID30975176NS00125797Q27292607
Database identifiers
- CAS
59767-12-3- PubChem CID
- 167458
- DTXSID
DTXSID30975176- ChEMBL
CHEMBL1742407- UNII
- WF97ZA9NZV
- Nikkaji
- J18.382B
Properties
Computed structural properties
- XLogP
- 5.9
- Topological polar surface area
- 12.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 382
Physicochemical properties
- FDA UNII
- 97 ZA9NZV · WF97ZA9NZV
Chemistry & industry
Suppliers1 total
Lanospharma Laboratories Co.,Ltd13440048448 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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