Basic information
- CAS
93963-66-7- Standard SMILES
CC(C)(C)c1ccc(CN2CCN(C(c3ccccc3)c3ccc(Cl)cc3)CC2)cc1.O=C1CC[C@@H](C(=O)O)N1.O=C1CC[C@@H](C(=O)O)N1- InChIKey
NRYBPSTUXITXES-YHUPNWGDSA-N- Molecular formula
- C38H47ClN4O6
- Average molar mass
- 691.3 g/mol
- Monoisotopic mass
- 690.3184129
Names & identifiers
- Preferred name
- Einecs 300-810-7
- IUPAC
- 1-[(4-tert-butylphenyl)methyl]-4-[(4-chlorophenyl)-phenylmethyl]piperazine;bis((2S)-5-oxopyrrolidine-2-carboxylic acid)
Names & synonyms
EINECS 300-810-793963-66-75-Oxo-L-proline, compound with 4-(4-tert-butylbenzyl)-1-(4-chlorobenzhydryl)piperazine (2:1)DTXSID80916837NS00091796(2S)-5-Hydroxy-3,4-dihydro-2H-pyrrole-2-carboxylic acid--1-[(4-tert-butylphenyl)methyl]-4-[(4-chlorophenyl)(phenyl)methyl]piperazine (2/1)5-Hydroxy-3,4-dihydro-2H-pyrrole-2-carboxylic acid--1-[(4-tert-butylphenyl)methyl]-4-[(4-chlorophenyl)(phenyl)methyl]piperazine (2/1)
Database identifiers
- CAS
93963-66-7- PubChem CID
- 44153152
- DTXSID
DTXSID80916837- EC Number
- 300-810-7
Properties
Computed structural properties
- Topological polar surface area
- 139 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 8
- Heavy atoms
- 49
- Formal charge
- 0
- Complexity
- 668
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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