Basic information
- Standard SMILES
Cc1ccc(O)c([C@H](CCN(C(C)C)C(C)C)c2ccccc2)c1.O=C(O)C(O)C(O)C(=O)O- InChIKey
TWHNMSJGYKMTRB-VEIFNGETSA-N- Molecular formula
- C26H37NO7
- Average molar mass
- 475.6 g/mol
Names & identifiers
- Preferred name
- (R)-2-(3-(Diisopropylamino)-1-phenylpropyl)-4-methylphenol 2,3-dihydroxysuccinate
- IUPAC
- 2,3-dihydroxybutanedioic acid;2-[(1R)-3-[di(propan-2-yl)amino]-1-phenylpropyl]-4-methylphenol
Names & synonyms
(R)-2-(3-(Diisopropylamino)-1-phenylpropyl)-4-methylphenol 2,3-dihydroxysuccinatePNU 200583ESMR000469196SCHEMBL36881MLS001401389MLS006010051SCHEMBL467372CHEMBL1722209TWHNMSJGYKMTRB-VEIFNGETSA-NHMS2051E12HMS2230P06AKOS015920262
Show more names
CCG-100865NC001152,3-dihydroxybutanedioic acid;2-[(1R)-3-[di(propan-2-yl)amino]-1-phenylpropyl]-4-methylphenol
Database identifiers
- PubChem CID
- 9847786
- ChEMBL
CHEMBL1722209
Properties
Computed structural properties
- Topological polar surface area
- 139 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 10
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 474
Related reactions
8 records
Compound notes
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