Basic information
- CAS
56693-13-1- Standard SMILES
C#CC1(OCC(O)CN2CCN(c3ccccc3OC)CC2)CCCCC1- InChIKey
UWDDRCRFIZGSCD-UHFFFAOYSA-N- Molecular formula
- C22H32N2O3
- Average molar mass
- 372.5 g/mol
- Monoisotopic mass
- 372.24129289
Overview
structure given in first source
Names & identifiers
- Preferred name
- alpha-(((1-Ethynylcyclohexyl)oxy)methyl)-4-(2-methoxyphenyl)-1-piperazineethanol
- IUPAC
- 1-(1-ethynylcyclohexyl)oxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-2-ol
- English name
- mociprazine
- Molecular formula
- C22H32N2O3
- Molecular weight
- 372.506
Names & synonyms
Mociprazine56693-13-1MociprazinaMociprazinumL3L0CM26R6RefChem:915449CERM 3517alpha-(((1-Ethynylcyclohexyl)oxy)methyl)-4-(2-methoxyphenyl)-1-piperazineethanol260-340-2Mociprazine [INN]MociprazinCERM 3517;3517CERM
Show more names
1-(1-ethynylcyclohexoxy)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-2-olα-[[(1-Ethynylcyclohexyl)oxy]methyl]-4-(o-methoxyphenyl)-1-piperazineethanol1-Piperazineethanol, α-[[(1-ethynylcyclohexyl)oxy]methyl]-4-(2-methoxyphenyl)-
1-(1-ethynylcyclohexyl)oxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-2-olalpha-(((1-Ethynylcyclohexyl)oxy)methyl)-4-(o-methoxyphenyl)-1-piperazineethanolMociprazinum [INN-Latin]Mociprazina [INN-Spanish]UNII-L3L0CM26R6EINECS 260-340-2orb1696035SCHEMBL2111168
Database identifiers
- CAS
56693-13-1- PubChem CID
- 68762
- DTXSID
DTXSID60866583
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 45.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 489
Physicochemical properties
- FDA UNII
- 3 L0CM26R6 · L3L0CM26R6
Chemistry & industry
Suppliers2 total
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [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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