(R)-3'-[[2-[[2-(3-Chlorophenyl)-2-hydroxyethyl]amino]ethyl]amino]-[1,1'-biphenyl]-3,4-dicarboxylic acid dimethyl ester dihydrochloride
Basic information
- Standard SMILES
COC(=O)c1ccc(-c2cccc(NCCNC[C@H](O)c3cccc(Cl)c3)c2)cc1C(=O)OC.Cl.Cl- InChIKey
SSLLWMMLDOMAAQ-ASMAMLKCSA-N- Molecular formula
- C26H29Cl3N2O5
- Average molar mass
- 555.9 g/mol
Names & identifiers
- Preferred name
- (R)-3'-[[2-[[2-(3-Chlorophenyl)-2-hydroxyethyl]amino]ethyl]amino]-[1,1'-biphenyl]-3,4-dicarboxylic acid dimethyl ester dihydrochloride
- IUPAC
- dimethyl 4-[3-[2-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]ethylamino]phenyl]benzene-1,2-dicarboxylate;dihydrochloride
Names & synonyms
SCHEMBL6437020SSLLWMMLDOMAAQ-ASMAMLKCSA-N(R)-3'-[[2-[[2-(3-Chlorophenyl)-2-hydroxyethyl]amino]ethyl]amino]-[1,1'-biphenyl]-3,4-dicarboxylic acid dimethyl ester dihydrochloride
Database identifiers
- PubChem CID
- 69780650
Properties
Computed structural properties
- Topological polar surface area
- 96.9 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 12
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 651
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Related reactions
2 records
Compound notes
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