4,7-Epoxyisoindoline, hexahydro-4-methyl-2-(3-phenothiazin-10-ylpropyl)-, hydrochloride
Basic information
- CAS
6593-05-1- Standard SMILES
CC12CCC(O1)C1CN(CCCN3c4ccccc4Sc4ccccc43)CC12.Cl- InChIKey
JDEPJLPMDFMXBF-UHFFFAOYSA-N- Molecular formula
- C24H29ClN2OS
- Average molar mass
- 429 g/mol
- Monoisotopic mass
- 428.1689124
Names & identifiers
- Preferred name
- 4,7-Epoxyisoindoline, hexahydro-4-methyl-2-(3-phenothiazin-10-ylpropyl)-, hydrochloride
- IUPAC
- 7-methyl-2-(3-phenothiazin-10-ylpropyl)-3,3a,4,5,6,7a-hexahydro-1H-4,7-epoxyisoindole;hydrochloride
Names & synonyms
10-(3-(4-Methyl-4,7-epoxyhexahydroisoindolin-2-yl)propyl)phenothiazine hydrochloride6593-05-14,7-Epoxyisoindoline, hexahydro-4-methyl-2-(3-phenothiazin-10-ylpropyl)-, hydrochlorideHexahydro-4-methyl-2-(3-phenothiazin-10-ylpropyl)-4,7-epoxyisoindoline hydrochlorideRefChem:286103DTXSID5098442210-[3-(4-Methyloctahydro-2H-4,7-epoxyisoindol-2-yl)propyl]-10H-phenothiazine--hydrogen chloride (1/1)
Database identifiers
- CAS
6593-05-1- PubChem CID
- 201695
- DTXSID
DTXSID50984422
Properties
Computed structural properties
- Topological polar surface area
- 41 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 565
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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