Thiazesim Hydrochloride
Basic information
- CAS
3122-01-8- Standard SMILES
CN(C)CCN1C(=O)CC(c2ccccc2)Sc2ccccc21.Cl- InChIKey
IUZXQGCIJLIGLS-UHFFFAOYSA-N- Molecular formula
- C19H23ClN2OS
- Average molar mass
- 362.9 g/mol
- Monoisotopic mass
- 362.1219622
Names & identifiers
- Preferred name
- Thiazesim Hydrochloride
- IUPAC
- 5-[2-(dimethylamino)ethyl]-2-phenyl-2,3-dihydro-1,5-benzothiazepin-4-one;hydrochloride
- English name
- Thiazesim
- Molecular formula
- C19H23ClN2OS
- Molecular weight
- 362.91672
Names & synonyms
Thiazesim hydrochlorideAltinilThiazesim HCl3122-01-8Tiazesim hydrochlorideSQ 10,496NSC-1695094CIH6N1U251,5-Benzothiazepin-4(5H)-one, 5-(2-(dimethylamino)ethyl)-2,3-dihydro-2-phenyl-, monohydrochlorideSQ-10496RefChem:189272Thiazenone
Show more names
TiazesimThiazesimNSC 169509
Thiazesim hydrochloride [USAN]SQ 104965-[2-(dimethylamino)ethyl]-2-phenyl-2,3-dihydro-1,5-benzothiazepin-4-one;hydrochlorideThiazesim hydrochloride (USAN)5-(2-(Dimethylamino)ethyl)-2,3-dihydro-2-phenyl-1,5-benzothiazepin-4(5H)-one monohydrochlorideNSC1695095-[2-(Dimethylamino)ethyl]-2,3-dihydro-2-phenyl-1,5-benzothiazepin-4(5H)-one monohydrochlorideAltinil (TN)
Database identifiers
- CAS
3122-01-8- PubChem CID
- 66263
- ChEMBL
CHEMBL2107462- UNII
- 4CIH6N1U25
Properties
Computed structural properties
- Topological polar surface area
- 48.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 395
Physicochemical properties
- Melting point
- 222 · 222-224°
- FDA UNII
- 44 G76ZB85O · 44G76ZB85O
- RIDADR
- 3249 · 3249
- HazardClass
- 6.1 · 6.1(b)
- PackingGroup
- III
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- ridadr
- 3249
- hazard_class
- 6.1(b)
- packing_group
- III
Chemistry & industry
Applications
UsesAltinil(Bristol-Myers Squibb).
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Related reactions
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Compound notes
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