Basic information
- CAS
61-40-5- Standard SMILES
CN(C)CCC(=O)c1csc2ccccc12.Cl- InChIKey
VLWUPJUWLHHZIS-UHFFFAOYSA-N- Molecular formula
- C13H16ClNOS
- Average molar mass
- 269.79 g/mol
- Monoisotopic mass
- 269.064113
Overview
tested for platelet aggregation inhibition; RN given refers to HCl
Names & identifiers
- Preferred name
- AQ 1989
- IUPAC
- 1-(1-benzothiophen-3-yl)-3-(dimethylamino)propan-1-one;hydrochloride
- English name
- AQ 1989
- Molecular formula
- C13H16ClNOS
- Molecular weight
- 269.79024
Names & synonyms
61-40-5AQ 1989AQ-1989DTXSID50209844RefChem:113576DTXCID001323351-Propanone, 1-benzo(b)thien-3-yl-3-(dimethylamino)-, hydrochloride1-(1-benzothiophen-3-yl)-3-(dimethylamino)propan-1-one;hydrochlorideNSC108961NSC 108961Thiophene Impurity 2 HClBenzothienyl-2-beta-(N,N-dimethylamino)ethyl ketone
Show more names
1-(benzo[b]thiophen-3-yl)-3-(dimethylamino)propan-1-one hydrochloride
orb1740484SCHEMBL7491399NSC-108961T689961-(1-Benzothiophen-3-yl)-3-(dimethylamino)propan-1-one--hydrogen chloride (1/1)
Database identifiers
- CAS
61-40-5- PubChem CID
- 65537
- DTXSID
DTXSID50209844
Properties
Computed structural properties
- Topological polar surface area
- 48.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 254
Physicochemical properties
- Melting point
- 175 · 175-176 °C
Chemistry & industry
Applications
DescriptionAQ 1989 is a platelet aggregation inhibitor.
Suppliers5 total
河南誉康卓宁进出口有限公司13393721940 · [email protected]
上海陶术生物科技股份有限公司13564774135 · [email protected]
陕西伊坤特医药科技有限公司18049260030 18049260030 · [email protected]
TargetMol中国（陶术生物）4008200310 15002144251 · [email protected]
上海择睿生物科技有限公司021-54580889 18321124657 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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