Basic information
- CAS
99323-21-4- Standard SMILES
CCc1ccc(C(=O)C(C)CN2CCCC2)cc1- InChIKey
VNFAARJCGSAROU-UHFFFAOYSA-N- Molecular formula
- C16H23NO
- Average molar mass
- 245.36 g/mol
- Monoisotopic mass
- 245.17796436
Overview
Inaperisone is an aromatic ketone.
Names & identifiers
- Preferred name
- 1-(4-Ethylphenyl)-2-methyl-3-(1-pyrrolidinyl)-1-propanone
- IUPAC
- 1-(4-ethylphenyl)-2-methyl-3-pyrrolidin-1-ylpropan-1-one
- English name
- Inaperisone
- Molecular formula
- C16H23NO
- Molecular weight
- 245.36
Names & synonyms
Inaperisone99323-21-4InaperisonaInaperisonum1-(4-Ethylphenyl)-2-methyl-3-(1-pyrrolidinyl)-1-propanone0QAC3P785O(4'-ethyl-2-methyl-3-pyrrolidino)propiophenone hydrochloride1-Propanone, 1-(4-ethylphenyl)-2-methyl-3-(1-pyrrolidinyl)-,RefChem:9073621-(4-ethylphenyl)-2-methyl-3-pyrrolidin-1-ylpropan-1-oneInaperisone [INN](+/-)-Inaperisone
Show more names
4'-Ethyl-α-methyl-β-(1-pyrrolidinyl)propiophenone1-Propanone, 1-(4-ethylphenyl)-2-methyl-3-(1-pyrrolidinyl)-
Inaperisonum [INN-Latin]Inaperisona [INN-Spanish]UNII-0QAC3P785OINAPERISONE [MI]SCHEMBL250427orb1745188CHEMBL1797127(+-)-4'-Ethyl-2-methyl-3-(1-pyrrolidinyl)propiophenone
Database identifiers
- CAS
99323-21-4- PubChem CID
- 65860
- DTXSID
DTXSID60869332- ChEMBL
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 20.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 262
Physicochemical properties
- Boiling point
- 370.8 · 370.8±35.0 °C(Predicted)
- Density
- 1.009 · 1.009±0.06 g/cm3(Predicted)
- pka
- 9.7 · 9.70±0.20(Predicted)
- form
- Liquid
- color
- Light yellow to yellow
- FDA UNII
- 0 QAC3P785O · 0QAC3P785O
Chemistry & industry
Applications
UsesInaperisone is a centrally acting muscle relaxant. Inaperisone can inhibit the micturition reflex by acting indirectly on GABAB receptors in the brainstem[1].
Suppliers10 total
江苏艾康生物医药研发有限公司025-5885952 15955137747 · [email protected]
北京博奥森生物技术有限公司400-901-9800 18611424007 · [email protected]
BOC Sciences1-631-485-4226; 16314854226 · [email protected]
天津普西唐生物医药科技有限公司010-60605840 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
天津凯利奇生物科技有限公司15076683720 · [email protected]
上海瀚香生物科技有限公司17754423994 · [email protected]
上海一飞生物科技有限公司021-65675885 18964387627 · [email protected]
TargetMol中国（陶术生物）15002134094 · [email protected]
上海阿摩尔生物科技有限公司13370042665 18916960931 · [email protected]
Additional notes
DefinitionChEBI: Inaperisone is an aromatic ketone.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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