Butanedioic acid,3-dioxan-2-yl)ethyl]-1-piperazinyl]propyl]-2-(trifluoromethyl)-10H-phenothiazine (1:1)

HCID 424893

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Basic information

CAS: 41761-40-4
Standard SMILES: FC(F)(F)c1ccc2c(c1)N(CCCN1CCN(CCC3OCCCO3)CC1)c1ccccc1S2.O=C(O)CCC(=O)O
InChIKey: VQMYKUXFZPBMLO-UHFFFAOYSA-N
Molecular formula: C30H38F3N3O6S
Average molar mass: 625.7 g/mol
Monoisotopic mass: 625.2433416

Names & identifiers

Preferred name: Butanedioic acid,3-dioxan-2-yl)ethyl]-1-piperazinyl]propyl]-2-(trifluoromethyl)-10H-phenothiazine (1:1)
IUPAC: butanedioic acid;10-[3-[4-[2-(1,3-dioxan-2-yl)ethyl]piperazin-1-yl]propyl]-2-(trifluoromethyl)phenothiazine

Names & synonyms

41761-40-4NSC169417succinic acid, compound with 10-[3-[4-[2-(1,3-dioxan-2-yl)ethyl]piperazin-1-yl]propyl]-2-(trifluoromethyl)-10H-phenothiazine (2DTXSID00329900NSC-169417Butanedioic acid,3-dioxan-2-yl)ethyl]-1-piperazinyl]propyl]-2-(trifluoromethyl)-10H-phenothiazine (1:1)Butanedioic acid--10-(3-{4-[2-(1,3-dioxan-2-yl)ethyl]piperazin-1-yl}propyl)-2-(trifluoromethyl)-10H-phenothiazine (1/1)

Database identifiers

CAS: 41761-40-4、7450-97-7
PubChem CID: 424893
DTXSID: DTXSID00329900

Properties

Computed structural properties

Topological polar surface area: 128 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 13
Rotatable bonds: 10
Heavy atoms: 43
Formal charge: 0
Complexity: 751

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