Dimotapp
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Basic information
- CAS
87453-66-5- Standard SMILES
CN(C)CCC(c1ccc(Cl)cc1)c1ccccn1.CNC[C@H](O)c1cccc(O)c1.C[C@@H](N)C(O)c1ccccc1.Cl.Cl.O=C(O)/C=C\C(=O)O- InChIKey
HPLJKIRKESVBEY-JHEZHVNESA-N- Molecular formula
- C38H51Cl3N4O7
- Average molar mass
- 782.2 g/mol
- Monoisotopic mass
- 780.282333
Names & identifiers
- Preferred name
- Dimotapp
- IUPAC
- (2R)-2-amino-1-phenylpropan-1-ol;(Z)-but-2-enedioic acid;3-(4-chlorophenyl)-N,N-dimethyl-3-pyridin-2-ylpropan-1-amine;3-[(1R)-1-hydroxy-2-(methylamino)ethyl]phenol;dihydrochloride
- English name
- dimotapp
- Molecular formula
- C38H51Cl3N4O7
- Molecular weight
- 782.2
Names & synonyms
Dimotapp87453-66-5Benzenemethanol, 3-hydroxy-alpha-((methylamino)methyl)-, hydrochloride, (R)-, mixt. with (R*,S*)-(+-)-alpha-(1-aminoethyl)benzenemethanol hydrochloride and gamma-(4-chlorophenyl)-N,N-dimethyl-2-pyridinepropanamine (Z)-2-butenedioate (1:1)
Database identifiers
- CAS
87453-66-5- PubChem CID
- 6441986
Properties
Computed structural propertiesFilling in
- Topological polar surface area
- 189 Ų
- Hydrogen bond donors
- 9
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 12
- Heavy atoms
- 52
- Formal charge
- 0
- Complexity
- 608
Related reactions
0 records
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Compound notes
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