Damotepine
Basic information
- CAS
1469-07-4- Standard SMILES
CN(C)CC1=Cc2ccccc2Sc2ccccc21- InChIKey
BRCYAOFSVFIBPV-UHFFFAOYSA-N- Molecular formula
- C17H17NS
- Average molar mass
- 267.4 g/mol
- Monoisotopic mass
- 267.10817072
Overview
Damotepine is a small molecule drug. Damotepine has a monoisotopic molecular weight of 267.11 Da.
Names & identifiers
- Preferred name
- Damotepine
- IUPAC
- 1-benzo[b][1]benzothiepin-5-yl-N,N-dimethylmethanamine
- English name
- Damotepine
- Molecular formula
- C17H17NS
- Molecular weight
- 267.39
Names & synonyms
Damotepine1469-07-40V9VL751XUGP 41299DTXSID10163539N,N-Dimethyldibenzo(b,f)thiepin-10-methylamineGP-41299RefChem:130856DTXCID2086030N, N-dimethyl-dibenzo(b, f)thiepin-10-methylamine, HClDamotepinaDamotepine [INN:DCF]
Show more names
10-(N,N-Dimethylaminomethyl)dibenzo[b,f]thiepinDibenzo[b,f]thiepin-10-methanamine, N,N-dimethyl-
1-benzo[b][1]benzothiepin-5-yl-N,N-dimethylmethanamineDamotepinumDamotepinDamotepinum [INN-Latin]Damotepina [INN-Spanish]UNII-0V9VL751XUDAMOTEPINE [INN]N,N-Dimethyl((dibenzo(b,f)thiepin-10-yl)methyl)amin
Database identifiers
- CAS
1469-07-4- PubChem CID
- 71644
- DTXSID
DTXSID10163539- ChEMBL
CHEMBL2106676- UNII
- 0V9VL751XU
- Nikkaji
- J7.745C
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 28.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 336
Physicochemical properties
- Melting point
- 114 · 114-116 °C
- Boiling point
- 386 · 386.0±31.0 °C(Predicted)
- Density
- 1.133 · 1.133±0.06 g/cm3(Predicted)
- pka
- 8.76 · 8.76±0.28(Predicted)
- FDA UNII
- 0 V9VL751XU · 0V9VL751XU
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Related reactions
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Compound notes
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