Basic information
- CAS
47739-98-0- Standard SMILES
NC(=O)C1(N2CCCCC2)CCN(CCCN2c3ccccc3CCc3ccc(Cl)cc32)CC1- InChIKey
QAZKXHSIKKNOHH-UHFFFAOYSA-N- Molecular formula
- C28H37ClN4O
- Average molar mass
- 481.1 g/mol
- Monoisotopic mass
- 480.2655895
Overview
Clocapramine is a dibenzooxazepine.
Names & identifiers
- Preferred name
- Clocapramine
- IUPAC
- 1-[3-(2-chloro-5,6-dihydrobenzo[b][1]benzazepin-11-yl)propyl]-4-piperidin-1-ylpiperidine-4-carboxamide
- English name
- Clocapramine
- Molecular formula
- C28H37ClN4O
- Molecular weight
- 481.07
Names & synonyms
Clocapramine47739-98-0ClocapraminaClocapraminumDTXSID10577496EEL1GB72K3-ChlorocarpipramineDTXCID2031538Y 4153RefChem:1270151-(3-(14-chloro-2-azatricyclo(9.4.0.03,?)pentadeca-1(11),3,5,7,12,14-hexaen-2-yl)propyl)-4-(piperidin-1-yl)piperidine-4-carboximidic acid3-chloro-5-(3-(4-piperidino-4-carbamoylpiperidino)propyl)-10,11-dihydro-5H-dibenz(b,f)azepine dihydrochloride monohydrate
Show more names
Clocarpramine1'-[3-(3-Chloro-10,11-dihydro-5H-dibenz[b,f]azepin-5-yl)propyl][1,4'-bipiperidine]-4'-carboxamide1-[3-(3-Chloro-10,11-dihydro-5H-dibenz[b,f]azepin-5-yl)propyl]-4-piperidino-4-piperidinecarboxamide[1,4'-Bipiperidine]-4'-carboxamide, 1'-[3-(3-chloro-10,11-dihydro-5H-dibenz[b,f]azepin-5-yl)propyl]-
Clocapramine [INN]1-[3-(2-chloro-5,6-dihydrobenzo[b][1]benzazepin-11-yl)propyl]-4-piperidin-1-ylpiperidine-4-carboxamideClocarpramine;3-ChlorocarpipramineClocapramine (INN)1'-(3-(3-Chloro-10,11-dihydro-5H-dibenz(b,f)azepin-5-yl)propyl)(1,4'-bipiperidine)-4'-carboxamideUNII-6EEL1GB72KClocapraminum [INN-Latin]Clocapramina [INN-Spanish]
Properties
Computed structural properties
- XLogP
- 5.4
- Topological polar surface area
- 52.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 675
Experimental & physicochemical properties
DrugsPharmaceuticals -> Listed in ZINC15
Melting Point181-183
Physicochemical properties
- Boiling point
- 662.1 · 662.1±55.0 °C(Predicted)
- Density
- 1.23 g/cm3 · 1.23 g/cm3
- storage temp.
- -20 °C · Store at -20°C
- solubility
- Soluble in DMSO
- pka
- 16.2 · 16.20±0.20(Predicted)
- FDA UNII
- 6 EEL1GB72K · 6EEL1GB72K
Chemistry & industry
Applications
UsesClocapramine is an antagonist of the D2, 5-HT2A receptors.
Suppliers7 total
成都超九八生物科技有限公司13348960310 13348960310 · [email protected]
銳迪國際科技有限公司18024082417 · [email protected]
湖北扬信医药科技有限公司0714-3999001 19171453112 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
艾吉析科技（上海）有限公司17717235263 17717235263 · [email protected]
南通全益生物科技有限公司0513-66337626 18051384581 · [email protected]
范德(北京)生物科技有限责任公司15911056312 · [email protected]
Additional notes
DefinitionChEBI: Clocapramine is a dibenzooxazepine.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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