Chloracizine
Basic information
- CAS
800-22-6- Standard SMILES
CCN(CC)CCC(=O)N1c2ccccc2Sc2ccc(Cl)cc21- InChIKey
ZZKWNLZUYAGVOT-UHFFFAOYSA-N- Molecular formula
- C19H21ClN2OS
- Average molar mass
- 360.9 g/mol
- Monoisotopic mass
- 360.1063122
Overview
Chloracyzine is a small molecule drug. The usage of the INN stem '-yzine' in the name indicates that Chloracyzine is a diphenylmethyl piperazine derivative. Chloracyzine has a monoisotopic molecular weight of 360.11 Da.
Names & identifiers
- Preferred name
- Chloracizine
- IUPAC
- 1-(2-chlorophenothiazin-10-yl)-3-(diethylamino)propan-1-one
- English name
- Chloracyzine
- Molecular formula
- C19H21ClN2OS
- Molecular weight
- 360.9
Names & synonyms
CHLORACYZINEChloracizine800-22-6ChloracizinumCloracizinaChloracyzinumG-020DTXSID6046183TZ913SWN6M2-Chloro-10-(3-diethylaminopropionyl)phenothiazineDTXCID4026183chloracysine
Show more names
CHLORACIZINEHCLCHLORACYZINEHYDROCHLORIDE2-Chloro-10-[3-(diethylamino)-1-oxopropyl]-10H-phenothiazine1-Propanone, 1-(2-chloro-10H-phenothiazin-10-yl)-3-(diethylamino)-
RefChem:125251ChlorazicineChloroacizinChloroacizineChloroacyzinChloracizinChlorazicinKhloratsizin
Database identifiers
- CAS
800-22-6- PubChem CID
- 13113
- DTXSID
DTXSID6046183- ChEMBL
CHEMBL290624- UNII
- TZ913SWN6M
- Nikkaji
- J7.098J
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 48.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 432
Physicochemical properties
- Melting point
- 157 °C · 157 °C
- Boiling point
- 553.9 · 553.9±50.0 °C(Predicted)
- Density
- 1.246 · 1.246±0.06 g/cm3(Predicted)
- pka
- 9.54 · 9.54±0.25(Predicted)
- FDA UNII
- 913 SWN6M · TZ913SWN6M
Chemistry & industry
Applications
UsesChloracyzine is an antianginal agent with spasmolytic properties and prevent or relieve spasms of the coronary vessels. Chloracyzine shows a moderate antihistaminic effect[1].
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Compound notes
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