Dan 2807
Basic information
- CAS
62099-01-8- Standard SMILES
CC(=O)Nc1ccc(OCC(C)NCCOC(c2ccccc2)c2ccccc2)cc1.CC(=O)Nc1ccc(OCC(C)NCCOC(c2ccccc2)c2ccccc2)cc1.O=C(O)C(=O)O- InChIKey
NWIUPBDPVLBPPC-UHFFFAOYSA-N- Molecular formula
- C54H62N4O10
- Average molar mass
- 927.1 g/mol
- Monoisotopic mass
- 926.44659419
Names & identifiers
- Preferred name
- Dan 2807
- IUPAC
- bis(N-[4-[2-(2-benzhydryloxyethylamino)propoxy]phenyl]acetamide);oxalic acid
Names & synonyms
DAN-280762099-01-8DAN 2807N-(4-(2-((2-(Diphenylmethoxy)ethyl)amino)propoxy)phenyl)acetamide ethanedioate (2:1)N-(4-(2-((2-(DIPHENYLMETHOXY)ETHYL)AMINO)PROPOXY)PHENYL)ACETAMIDE HEMIOXALATEAcetamide, N-(4-(2-((2-(diphenylmethoxy)ethyl)amino)propoxy)phenyl)-, ethanedioate (2:1)RefChem:336613DTXSID20977684Oxalic acid--N-[4-(2-{[2-(diphenylmethoxy)ethyl]amino}propoxy)phenyl]ethanimidic acid (1/2)
Database identifiers
- CAS
62099-01-8- PubChem CID
- 43918
- DTXSID
DTXSID20977684
Properties
Computed structural properties
- Topological polar surface area
- 194 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 23
- Heavy atoms
- 68
- Formal charge
- 0
- Complexity
- 548
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Compound notes
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