Dazolicine
Basic information
- CAS
61477-97-2- Standard SMILES
CC(C)N1CCN=C1CN1CCCCSc2ccc(Cl)cc21- InChIKey
RZAGBWYFAWQKAE-UHFFFAOYSA-N- Molecular formula
- C17H24ClN3S
- Average molar mass
- 337.9 g/mol
- Monoisotopic mass
- 337.1379466
Overview
Dazolicine is a small molecule drug. Dazolicine has a monoisotopic molecular weight of 337.14 Da.
Names & identifiers
- Preferred name
- Dazolicine
- IUPAC
- 8-chloro-6-[(1-propan-2-yl-4,5-dihydroimidazol-2-yl)methyl]-2,3,4,5-tetrahydro-1,6-benzothiazocine
- English name
- Dazolicine
- Molecular formula
- C17H24ClN3S
- Molecular weight
- 337.91
Names & synonyms
DazolicineDazolicina61477-97-2Dazolicinum92KE01WH2Pdazolicindazolicine hydrochlorideRefChem:131039Dazolicine [INN]8-Chloro-3,4,5,6-tetrahydro-6-((1-isopropyl-2-imidazolin-2-yl)methyl)-2H-1,6-benzothiazocineDazolicinum [INN-Latin]Dazolicina [INN-Spanish]
Show more names
8-Chloro-3,4,5,6-tetrahydro-6-[(1-isopropyl-2-imidazolin-2-yl)methyl]-2H-1,6-benzothiazocine2H-1,6-Benzothiazocine, 8-chloro-6-[[4,5-dihydro-1-(1-methylethyl)-1H-imidazol-2-yl]methyl]-3,4,5,6-tetrahydro-
UNII-92KE01WH2P8-chloro-6-[(1-propan-2-yl-4,5-dihydroimidazol-2-yl)methyl]-2,3,4,5-tetrahydro-1,6-benzothiazocineSCHEMBL2111249CHEMBL2104610SCHEMBL31432688UCB-B-192DTXSID308668588-chloro-6-{[1-(propan-2-yl)-4,5-dihydro-1H-imidazol-2-yl]methyl}-3,4,5,6-tetrahydro-2H-1,6-benzothiazocine
Database identifiers
- CAS
61477-97-2- PubChem CID
- 68810
- DTXSID
DTXSID30866858- ChEMBL
CHEMBL2104610- UNII
- 92KE01WH2P
- Nikkaji
- J18.137D
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 44.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 401
Physicochemical properties
- Boiling point
- 500.4 · 500.4±50.0 °C(Predicted)
- Density
- 1.25 · 1.25±0.1 g/cm3(Predicted)
- pka
- 10.1 · 10.10±0.60(Predicted)
- FDA UNII
- 92 KE01WH2P · 92KE01WH2P
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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