2-Chloro-10H-phenothiazine-10-propanamine 5-oxide
Basic information
- CAS
2232-49-7- Standard SMILES
NCCCN1c2ccccc2S(=O)c2ccc(Cl)cc21- InChIKey
YGJLHHBXRHEYRU-UHFFFAOYSA-N- Molecular formula
- C15H15ClN2OS
- Average molar mass
- 306.8 g/mol
- Monoisotopic mass
- 306.059362
Overview
3-(2-chloro-5-oxo-10-phenothiazinyl)-1-propanamine is a member of phenothiazines.
Names & identifiers
- Preferred name
- 2-Chloro-10H-phenothiazine-10-propanamine 5-oxide
- IUPAC
- 3-(2-chloro-5-oxophenothiazin-10-yl)propan-1-amine
- English name
- didemethylchlorpromazine sulfoxide
- Molecular formula
- C15H15ClN2OS
- Molecular weight
- 306.81
Names & synonyms
2232-49-7Didemethylchlorpromazine sulfoxide2-Chloro-10H-phenothiazine-10-propanamine 5-oxide3-(2-chloro-5-oxophenothiazin-10-yl)propan-1-amineJZ7MCA8TJH10-(3-Aminopropyl)-2-chloro-10H-phenothiazine 5-oxide10-(3-AMINOPROPYL)-2-CHLORO-10H-5??-PHENOTHIAZIN-5-ONECl-Ppa-SODidesmethylchlorpromazine sulfoxideUNII-JZ7MCA8TJHNOR2-CPZ-SO3-(2-chloro-5-oxo-phenothiazin-10-yl)propan-1-amine
Show more names
10H-Phenothiazine-10-propanamine, 2-chloro-, 5-oxide（WS204341）
10H-Phenothiazine-10-propanamine, 2-chloro-, 5-oxidePhenothiazine, 10-(3-aminopropyl)-2-chloro-, 5-oxideSCHEMBL11077473DTXSID70944967CHEBI:125426Didemethyl Chlorpromazine SulfoxideNOR2-CHLORPROMAZINE SULFOXIDEAKOS037645633
Database identifiers
- CAS
2232-49-7- PubChem CID
- 75220
- DTXSID
DTXSID70944967- ChEBI
CHEBI:125426
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 76.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 368
Physicochemical properties
- FDA UNII
- 7 MCA8TJH · JZ7MCA8TJH
Chemistry & industry
Additional notes
DefinitionChEBI: 3-(2-chloro-5-oxo-10-phenothiazinyl)-1-propanamine is a member of phenothiazines.
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Compound notes
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