Basic information
- CAS
79191-48-3- Standard SMILES
CC(=O)Nc1ccc(O)cc1.CCOc1ccc(NC(C)=O)cc1.CN(C)CCOc1ccccc1Cc1ccccc1.C[C@H](N)[C@H](O)c1ccccc1.Cl.O=C(O)CC(O)(CC(=O)O)C(=O)O- InChIKey
DMVSDDVSQRPBLI-FBJKDJMMSA-N- Molecular formula
- C50H65ClN4O13
- Average molar mass
- 965.5 g/mol
- Monoisotopic mass
- 964.4236658
Names & identifiers
- Preferred name
- (1R,2S)-2-amino-1-phenylpropan-1-ol;2-(2-benzylphenoxy)-N,N-dimethylethanamine;N-(4-ethoxyphenyl)acetamide;N-(4-hydroxyphenyl)acetamide;2-hydroxypropane-1,2,3-tricarboxylic acid;hydrochloride
- IUPAC
- (1R,2S)-2-amino-1-phenylpropan-1-ol;2-(2-benzylphenoxy)-N,N-dimethylethanamine;N-(4-ethoxyphenyl)acetamide;N-(4-hydroxyphenyl)acetamide;2-hydroxypropane-1,2,3-tricarboxylic acid;hydrochloride
- English name
- Sinutab
- Molecular formula
- C50H65ClN4O13
- Molecular weight
- 965.5231
Names & synonyms
79191-48-3Acetaminophen - phenylpropanolamine - phenyltoloxamineAcetaminophen, phenylpropanolamine, phenyltoloxamine drug combinationAcetamide, N-(4-ethoxyphenyl)-, mixt. with (R*,S*)-(+-)-alpha-(1-aminoethyl)benzenemethanol hydrochloride, N,N-dimethyl-2-(2-(phenylmethyl)phenoxy)ethanamine 2-hydroxy-1,2,3-propanetricarboxylate (1:1) and N-(4-hydroxyphenyl)acetamide
Database identifiers
- CAS
79191-48-3- PubChem CID
- 196124
Properties
Computed structural properties
- Topological polar surface area
- 279 Ų
- Hydrogen bond donors
- 10
- Hydrogen bond acceptors
- 15
- Rotatable bonds
- 17
- Heavy atoms
- 68
- Formal charge
- 0
- Complexity
- 874
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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