Basic information
- CAS
4177-58-6- Standard SMILES
CNC(=O)CCN1CCN(CCC=C2c3ccccc3Sc3ccc(Cl)cc32)CC1- InChIKey
WXFFTUKVTRHPLQ-UHFFFAOYSA-N- Molecular formula
- C24H28ClN3OS
- Average molar mass
- 442 g/mol
- Monoisotopic mass
- 441.1641614
Names & identifiers
- Preferred name
- Clothixamide
- IUPAC
- 3-[4-[3-(2-chlorothioxanthen-9-ylidene)propyl]piperazin-1-yl]-N-methylpropanamide
- English name
- Clotixamide
- Molecular formula
- C24H28ClN3OS
- Molecular weight
- 442.02
Names & synonyms
ClotixamideClothixamideClotixamide [INN]Clothixamid4177-58-6UNII-24623E6DZD24623E6DZD3-(4-(3-(2-Chlorthioxanthen-9-yliden)propyl)-1-piperazinyl)-N-methylpropionamid4-(3-(2-Chlorothioxanthen-9-ylidene)propyl)-N-methyl-1-piperazinepropionamide1-PIPERAZINEPROPANAMIDE, 4-(3-(2-CHLORO-9H-THIOXANTHEN-9-YLIDENE)PROPYL)-N-METHYL-DTXSID40194593RefChem:127123
Show more names
4-[3-(2-Chloro-9H-thioxanthen-9-ylidene)propyl]-N-methyl-1-piperazinepropionamide1-Piperazinepropanamide, 4-[3-(2-chloro-9H-thioxanthen-9-ylidene)propyl]-N-methyl-
DTXCID80117084Clotixamida3-[4-[3-(2-chlorothioxanthen-9-ylidene)propyl]piperazin-1-yl]-N-methylpropanamideClotixamidum3-[4-[(3E)-3-(2-chlorothioxanthen-9-ylidene)propyl]piperazin-1-yl]-N-methylpropanamideclothixamide (achiral)orb1708008CHEMBL4754653
Database identifiers
- CAS
4177-58-6、4434-20-2- PubChem CID
- 20495
- ChEMBL
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 60.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 607
Physicochemical properties
- Boiling point
- 652.9 · 652.9±55.0 °C(Predicted)
- Density
- 1.254 · 1.254±0.06 g/cm3(Predicted)
- storage temp.
- -20 °C · Store at -20°C
- solubility
- Soluble in DMSO
- form
- Solid
- pka
- 16.36 · 16.36±0.46(Predicted)
- color
- White to off-white
- FDA UNII
- 24623 E6DZD · 24623E6DZD
Chemistry & industry
Applications
UsesAntipsychotic.
Suppliers5 total
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
上海陶术生物科技股份有限公司13564774135 · [email protected]
TargetMol中国（陶术生物）4008200310 15002144251 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354 · [email protected]
上海阿摩尔生物科技有限公司13370042665 18916960931 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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