Basic information
- CAS
22661-96-7- Standard SMILES
COc1cc(C(=O)OC(COCCC(C)C)CN2CCOCC2)cc(OC)c1OC.Cl- InChIKey
HKTUGQIHGLSWGU-UHFFFAOYSA-N- Molecular formula
- C22H36ClNO7
- Average molar mass
- 462 g/mol
- Monoisotopic mass
- 461.2180302
Names & identifiers
- Preferred name
- Amoproxan hydrochloride
- IUPAC
- [1-(3-methylbutoxy)-3-morpholin-4-ylpropan-2-yl] 3,4,5-trimethoxybenzoate;hydrochloride
- English name
- Amoproxan
- Molecular formula
- C22H36ClNO7
- Molecular weight
- 461.97674
Names & synonyms
Amoproxan hydrochloride22661-96-7J28W7C2OPNRefChem:1076934Mederel[1-(3-methylbutoxy)-3-morpholin-4-ylpropan-2-yl] 3,4,5-trimethoxybenzoate;hydrochlorideAmoproxan HClUNII-J28W7C2OPN1-((3-Methylbutoxy)methyl)-2-(4-morpholinyl)ethyl 3,4,5-trimethoxybenzoate hydrochloride4-(3-Isoamyloxy, 2-(3,4,5 trimethoxy)benzoyloxy)propyl tetrahydro 1,4-oxazine HCl [French]orb1698410DTXSID40945325
Show more names
AMOPROXAN HYDROCHLORIDE [MI]AKOS040750484T30024L4-(3-Isoamyloxy, 2-(3,4,5 trimethoxy)benzoyloxy)propyl tetrahydro 1,4-oxazine HClBenzoic acid, 3,4,5-trimethoxy-, 1-((3-methylbutoxy)methyl)-2-(4-morpholinyl)ethyl ester, hydrochlorideBenzoic acid, 3,4,5-trimethoxy-, 2-(isopentyloxy)-1-(morpholinomethyl)ethyl ester, hydrochlorideAmoproxan HCl, Amoproxan hydrochloride, MederelQ27281056
Database identifiers
- CAS
22661-96-7- PubChem CID
- 31472
- DTXSID
DTXSID40945325- UNII
- J28W7C2OPN
Properties
Computed structural properties
- Topological polar surface area
- 75.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 13
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 470
Physicochemical properties
- Melting point
- 145 ° · 145°
- FDA UNII
- 28 W7C2OPN · J28W7C2OPN
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers3 total
上海陶术生物科技股份有限公司13564774135 · [email protected]
TargetMol中国（陶术生物）15002134094 · [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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