Acoxatrine
Basic information
- CAS
748-44-7- Standard SMILES
CC(=O)NCC1(c2ccccc2)CCN(CC2COc3ccccc3O2)CC1- InChIKey
WSWPNPUMDWOKAR-UHFFFAOYSA-N- Molecular formula
- C23H28N2O3
- Average molar mass
- 380.5 g/mol
- Monoisotopic mass
- 380.20999276
Names & identifiers
- Preferred name
- Acoxatrine
- IUPAC
- N-[[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-phenylpiperidin-4-yl]methyl]acetamide
- English name
- Acoxatrine
- Molecular formula
- C23H28N2O3
- Molecular weight
- 380.485
Names & synonyms
Acoxatrine748-44-7Acoxatrine [INN]AcoxatrinAcoxatrinaAcoxatrinumAcoxatrinum [INN-Latin]Acoxatrina [INN-Spanish]R 5385UNII-7IGS0KX75Q7IGS0KX75QBRN 0454715
Show more names
N-[[1-(2,3-dihydro-1,4-benzodioxin-2-ylmethyl)-4-phenyl-4-piperidyl]methyl]acetamideN-[[1-(2,3-dihydro-1,4-benzodioxin-2-ylmethyl)-4-phenylpiperidin-4-yl]methyl]acetamideN-[[1-(2,3-dihydro-1,4-benzodioxin-2-ylmethyl)-4-phenyl-piperidin-4-yl]methyl]ethanamide
R-53852-(4-(Acetamidomethyl)-4-phenyl-1-piperidyl)methyl-1,4-benzodioxane5-22-09-00507 (Beilstein Handbook Reference)N-((1-((1,4-Benzodioxan-2-yl)methyl)-4-phenyl-4-piperidyl)methyl)acetamideAcoxatrinum (INN-Latin)Acoxatrina (INN-Spanish)Acetamide, N-((1-(1,4-benzodioxan-2-ylmethyl)-4-phenyl-4-piperidyl)methyl)-(+-)-N-((1-(1,4-Benzodioxan-2-ylmethyl)-4-phenyl-4-piperidyl)methyl)acetamide
Database identifiers
- CAS
748-44-7- PubChem CID
- 68938
- DTXSID
DTXSID10862398- ChEMBL
CHEMBL1974113- UNII
- 7IGS0KX75Q
- Nikkaji
- J72.514E
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 50.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 512
Physicochemical properties
- FDA UNII
- 7 IGS0KX75Q · 7IGS0KX75Q
Chemistry & industry
Upstream & downstream products
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