2-Chloro-3,7-dimethoxy-N,N-dimethyl-10H-phenothiazine-10-propanamine
Basic information
- CAS
41190-18-5- Standard SMILES
COc1ccc2c(c1)Sc1cc(OC)c(Cl)cc1N2CCCN(C)C- InChIKey
KYRXAVBDIILWMN-UHFFFAOYSA-N- Molecular formula
- C19H23ClN2O2S
- Average molar mass
- 378.9 g/mol
- Monoisotopic mass
- 378.1168768
Names & identifiers
- Preferred name
- 2-Chloro-3,7-dimethoxy-N,N-dimethyl-10H-phenothiazine-10-propanamine
- IUPAC
- 3-(2-chloro-3,7-dimethoxyphenothiazin-10-yl)-N,N-dimethylpropan-1-amine
Names & synonyms
41190-18-5RefChem:10627472-Chloro-3,7-dimethoxy-N,N-dimethyl-10H-phenothiazine-10-propanamine3,7-DimethoxychlorpromazineBRN 11667382-Chloro-3,7-dimethoxy-10-(3-(dimethylamino)propyl)phenothiazinePhenothiazine, 2-chloro-3,7-dimethoxy-10-(3-(dimethylamino)propyl)-3-(2-chloro-3,7-dimethoxy-10h-phenothiazin-10-yl)-n,n-dimethylpropan-1-amineDTXSID10961491
Database identifiers
- CAS
41190-18-5- PubChem CID
- 218684
- DTXSID
DTXSID10961491- Nikkaji
- J53.764K
Properties
Computed structural properties
- XLogP
- 5.5
- Topological polar surface area
- 50.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 428
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Compound notes
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