Basic information
- CAS
104454-71-9- Standard SMILES
CC(C)C[C@H]1[C@@H](c2ccccc2)OC(=O)N1CCCN1CCCCCC1- InChIKey
DQNMZSIJHFEYTM-LEWJYISDSA-N- Molecular formula
- C22H34N2O2
- Average molar mass
- 358.5 g/mol
- Monoisotopic mass
- 358.26202833
Overview
Ipenoxazone is a small molecule drug. The usage of the INN stem '-azone' in the name indicates that Ipenoxazone is a anti-inflammatory analgesic, phenylbutazone derivative. Ipenoxazone has a monoisotopic molecular weight of 358.26 Da.
Names & identifiers
- Preferred name
- Mlv 6976
- IUPAC
- (4S,5R)-3-[3-(azepan-1-yl)propyl]-4-(2-methylpropyl)-5-phenyl-1,3-oxazolidin-2-one
- English name
- Ipenoxazone
- Molecular formula
- C22H34N2O2
- Molecular weight
- 358.52
Names & synonyms
MLV-6976Mlv 69762-Oxazolidinone, 3-(3-(hexahydro-1H-azepin-1-yl)propyl)-4-(2-methylpropyl)-5-phenyl-, (4S-cis)-RefChem:148628Ipenoxazone104454-71-9Ipenoxazone [INN]NC-1200(4S,5R)-3-[3-(azepan-1-yl)propyl]-4-(2-methylpropyl)-5-phenyl-1,3-oxazolidin-2-one839F26EVAQMLV6976NC1200
Show more names
Ipenoglan(4S,5R)-3-[3-(Hexahydro-1H-azepin-1-yl)propyl]-4-(2-methylpropyl)-5-phenyl-2-oxazolidinone2-Oxazolidinone, 3-[3-(hexahydro-1H-azepin-1-yl)propyl]-4-(2-methylpropyl)-5-phenyl-, (4S,5R)-
(+)-(4S,5R)-3-(3-(Hexahydro-1H-azepin-1-yl)propyl)-4-isobutyl-5-phenyl-2-oxazolidinoneNC 1200ipenoxazonaUNII-839F26EVAQMLV-6976;NC-1200SCHEMBL333881orb1707174CHEMBL2104917
Database identifiers
- CAS
104454-71-9- PubChem CID
- 65882
- DTXSID
DTXSID601318288- ChEMBL
CHEMBL2104917- UNII
- 839F26EVAQ
- Nikkaji
- J227.970C
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 32.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 426
Physicochemical properties
- storage temp.
- -20 °C · Store at -20°C
- solubility
- Soluble in DMSO
- FDA UNII
- 839 F26EVAQ · 839F26EVAQ
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Applications
UsesIpenoxazone is a muscle relaxant. It acts on the brainstem or in the peripheral nervous system to reduce the excessive activities of the nervous system.
Suppliers6 total
上海尺水药物研究有限公司[email protected] 13564957716 · [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]
上海德轩医药科技有限公司[email protected] · [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]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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