5-(2-(Dimethylamino)ethyl)-2,3-dihydro-2-phenyl-1,5-benzothiazepin-4(5H)-one
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Basic information
- CAS
5845-26-1- Standard SMILES
CN(C)CCN1C(=O)CC(c2ccccc2)Sc2ccccc21- InChIKey
QJJXOEFWXSQISU-UHFFFAOYSA-N- Molecular formula
- C19H22N2OS
- Average molar mass
- 326.5 g/mol
- Monoisotopic mass
- 326.1452845
Overview
Tiazesim is a benzothiazepine.
Names & identifiers
- Preferred name
- 5-(2-(Dimethylamino)ethyl)-2,3-dihydro-2-phenyl-1,5-benzothiazepin-4(5H)-one
- IUPAC
- 5-[2-(dimethylamino)ethyl]-2-phenyl-2,3-dihydro-1,5-benzothiazepin-4-one
- English name
- Thiazesim
- Molecular formula
- C19H22N2OS
- Molecular weight
- 326.46
Names & synonyms
THIAZESIM5845-26-144G76ZB85O5-[2-(Dimethylamino)ethyl]-2,3-dihydro-2-phenyl-1,5-benzothiazepin-4(5H)-one5-(2-(DIMETHYLAMINO)ETHYL)-2,3-DIHYDRO-2-PHENYL-1,5-BENZOTHIAZEPIN-4(5H)-ONERefChem:189271TiazesimTiazesimeTiazesimum5-[2-(dimethylamino)ethyl]-2-phenyl-2,3-dihydro-1,5-benzothiazepin-4-one1,5-Benzothiazepin-4(5H)-one, 5-[2-(dimethylamino)ethyl]-2,3-dihydro-2-phenyl-Tiazesima
Show more names
1,?5-?Benzothiazepin-?4(5H)?-?one, 5-?[2-?(dimethylamino)?ethyl]?-?2,?3-?dihydro-?2-?phenyl-
5-(2-Dimethylaminoethyl)-2,3-dihydro-2-phenyl-1,5-benzothiazepin-4(5H)-one1,5-Benzothiazepin-4(5H)-one, 5-(2-(dimethylamino)ethyl)-2,3-dihydro-2-phenyl-NSC169509Tiazesim [INN:BAN]Tiazesime [INN-French]Tiazesimum [INN-Latin]Tiazesima [INN-Spanish]UNII-44G76ZB85O
Database identifiers
- CAS
5845-26-1
Properties
Computed structural propertiesFilling in
- XLogP
- 3.1
- Topological polar surface area
- 48.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 395
Physicochemical properties
- Melting point
- 222 · 222-224 °C
- Boiling point
- 525 · 525.0±50.0 °C(Predicted)
- Density
- 1.153 · 1.153±0.06 g/cm3(Predicted)
- pka
- 8.94 · 8.94±0.28(Predicted)
- FDA UNII
- 44 G76ZB85O · 44G76ZB85O
Chemistry & industry
Applications
UsesAltinil(Bristol-Myers Squibb).
Additional notes
DefinitionChEBI: Tiazesim is a benzothiazepine.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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