1-alpha-H,5-alpha-H-Nortropan-3-beta-ol, 8-(3-(2-chlorophenothiazin-10-yl)propyl)-
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Basic information
- CAS
73805-93-3- Standard SMILES
OC1CC2CCC(C1)N2CCCN1c2ccccc2Sc2ccc(Cl)cc21- InChIKey
FVXMKGRYMOKOFX-UHFFFAOYSA-N- Molecular formula
- C22H25ClN2OS
- Average molar mass
- 401 g/mol
- Monoisotopic mass
- 400.1376123
Names & identifiers
- Preferred name
- 1-alpha-H,5-alpha-H-Nortropan-3-beta-ol, 8-(3-(2-chlorophenothiazin-10-yl)propyl)-
- IUPAC
- 8-[3-(2-chlorophenothiazin-10-yl)propyl]-8-azabicyclo[3.2.1]octan-3-ol
- English name
- (1R,5S)-8-[3-(2-Chloro-10H-phenothiazin-10-yl)propyl]-8-azabicyclo[3.2.1]octan-3β-ol
- Molecular formula
- C22H25ClN2OS
- Molecular weight
- 400.97
Names & synonyms
73805-93-38-(3-(10-(2-Chlorophenothiazinyl))propyl)pseudo-3-hydroxynortropane1-alpha-H,5-alpha-H-Nortropan-3-beta-ol, 8-(3-(2-chlorophenothiazin-10-yl)propyl)-8-(3-(2-Chlorophenothiazin-10-yl)propyl)-1-alpha-H,5-alpha-H-nortropan-3-beta-olRefChem:2274098-[3-(2-chloro-10h-phenothiazin-10-yl)propyl]-8-azabicyclo[3.2.1]octan-3-olNCI60_004450SCHEMBL4444154CHEMBL1182601SCHEMBL11244507DTXSID20994790(1R,5S)-8-[3-(2-Chloro-10H-phenothiazin-10-yl)propyl]-8-azabicyclo[3.2.1]octan-3β-ol
Show more names
8-Azabicyclo[3.2.1]octan-3-ol, 8-[3-(2-chloro-10H-phenothiazin-10-yl)propyl]-, exo- (9CI)
Database identifiers
- CAS
73805-93-3- PubChem CID
- 246379
- DTXSID
DTXSID20994790- ChEMBL
CHEMBL1182601- Nikkaji
- J2.291.983K
Properties
Computed structural propertiesFilling in
- XLogP
- 5.7
- Topological polar surface area
- 52 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 509
Physicochemical properties
- Boiling point
- 586.1 · 586.1±50.0 °C(Predicted)
- Density
- 1.294 · 1.294±0.06 g/cm3(Predicted)
- pka
- 14.84 · 14.84±0.20(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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