Phenothiazine, 2-methoxy-10-(3-(8-methyl-3,8-diazabicyclo(3.2.1)oct-3-yl)propyl)-, dihydrochloride

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Basic information

CAS: 24054-90-8
Standard SMILES: COc1ccc2c(c1)N(CCCN1CC3CCC(C1)N3C)c1ccccc1S2.Cl.Cl
InChIKey: CAMNXUZWPWZFGW-UHFFFAOYSA-N
Molecular formula: C23H31Cl2N3OS
Average molar mass: 468.5 g/mol
Monoisotopic mass: 467.1564892

Names & identifiers

Preferred name: Phenothiazine, 2-methoxy-10-(3-(8-methyl-3,8-diazabicyclo(3.2.1)oct-3-yl)propyl)-, dihydrochloride
IUPAC: 2-methoxy-10-[3-(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)propyl]phenothiazine;dihydrochloride

Names & synonyms

Phenothiazine, 2-methoxy-10-(3-(8-methyl-3,8-diazabicyclo(3.2.1)oct-3-yl)propyl)-, dihydrochloride24054-90-8RefChem:369547DTXSID709469012-Methoxy-10-[3-(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)propyl]-10H-phenothiazine--hydrogen chloride (1/2)

Database identifiers

CAS: 24054-90-8
PubChem CID: 212299
DTXSID: DTXSID70946901

Properties

Computed structural properties

Topological polar surface area: 44.3 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 5
Rotatable bonds: 5
Heavy atoms: 30
Formal charge: 0
Complexity: 520

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