Basic information
- CAS
518-61-6- Standard SMILES
CN(C)CC(=O)N1c2ccccc2Sc2ccccc21- InChIKey
HKUCYAHWPVLPFN-UHFFFAOYSA-N- Molecular formula
- C16H16N2OS
- Average molar mass
- 284.4 g/mol
- Monoisotopic mass
- 284.09833431
Names & identifiers
- Preferred name
- 2-(Dimethylamino)-1-(10H-phenothiazin-10-yl)ethanone
- IUPAC
- 2-(dimethylamino)-1-phenothiazin-10-ylethanone
- English name
- dacemazine
- Molecular formula
- C16H16N2OS
- Molecular weight
- 284.381
Names & synonyms
DacemazineAhistan518-61-6DacemazinaDacemazinum10-N,N-Dimethylglycylphenothiazine10-(Dimethylaminoacetyl)phenothiazine88D34UY0QIDTXSID70199733RefChem:1061737DTXCID301222242-(Dimethylamino)-1-(10H-phenothiazin-10-yl)ethanone
Show more names
BRN 0027765Histantin Richter)10-(N,N-Dimethylglycyl)-10H-phenothiazine10-(Dimethylamino)acetyl-10H-phenothiazine10-[(Dimethylamino)acetyl]-10H-phenothiazine
Dacemazine [INN]2-(dimethylamino)-1-phenothiazin-10-ylethanone10-((Dimethylamino)acetyl)-10H-phenothiazine10-(N,N-Dimethylglycyl)phenothiazineHistantin richterDacemazinum [Latin]Dacemazina [Spanish]Dimethylglycylphenothiazine
Database identifiers
- CAS
518-61-6- PubChem CID
- 68846
- DTXSID
DTXSID70199733- ChEMBL
CHEMBL2107547- UNII
- 88D34UY0QI
- Nikkaji
- J6.586B
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 48.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 338
Physicochemical properties
- Melting point
- 144 · 144-145°
- Boiling point
- 484.9 · 484.9±34.0 °C(Predicted)
- Density
- 1.1641 · 1.1641 (rough estimate)
- refractive index
- 1.74 · 1.7400 (estimate)
- pka
- 6.86 · 6.86±0.28(Predicted)
- FDA UNII
- 88 D34UY0QI · 88D34UY0QI
Chemistry & industry
Suppliers5 total
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
郑州为易化工产品有限公司0371-88888888 qq272369594;2159423853qq · [email protected]
上海陶术生物科技股份有限公司13564774135 · [email protected]
TargetMol中国（陶术生物）4008200310 15002144251 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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