3,8-Diazabicyclo(3.2.1)octane-8-ethanol, 3-(3-(2-chlorophenothiazin-10-yl)propyl)-, dihydrochloride

Substructure search Find similar structures

Basic information

CAS: 24054-91-9
Standard SMILES: Cl.Cl.OCCN1C2CCC1CN(CCCN1c3ccccc3Sc3ccc(Cl)cc31)C2
InChIKey: JTLUAFAFJURMLW-UHFFFAOYSA-N
Molecular formula: C23H30Cl3N3OS
Average molar mass: 502.9 g/mol
Monoisotopic mass: 501.117517

Names & identifiers

Preferred name: 3,8-Diazabicyclo(3.2.1)octane-8-ethanol, 3-(3-(2-chlorophenothiazin-10-yl)propyl)-, dihydrochloride
IUPAC: 2-[3-[3-(2-chlorophenothiazin-10-yl)propyl]-3,8-diazabicyclo[3.2.1]octan-8-yl]ethanol;dihydrochloride

Names & synonyms

3,8-Diazabicyclo(3.2.1)octane-8-ethanol, 3-(3-(2-chlorophenothiazin-10-yl)propyl)-, dihydrochloride24054-91-9RefChem:272746DTXSID309469022-{3-[3-(2-Chloro-10H-phenothiazin-10-yl)propyl]-3,8-diazabicyclo[3.2.1]octan-8-yl}ethan-1-ol--hydrogen chloride (1/2)

Database identifiers

CAS: 24054-91-9
PubChem CID: 212301
DTXSID: DTXSID30946902

Properties

Computed structural properties

Topological polar surface area: 55.3 Å²
Hydrogen bond donors: 3
Hydrogen bond acceptors: 5
Rotatable bonds: 6
Heavy atoms: 31
Formal charge: 0
Complexity: 540

Related reactions

0 records

New reaction record

No reaction records under the current filter.

Compound notes

Loading…