Completing data — refresh the page later to see the latest
Basic information
- Standard SMILES
COc1cc(NC(=O)CCN2CCC(OC(=O)Nc3ccccc3-c3ccccc3)CC2)c(Cl)cc1CNC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12.O=S(=O)(O)CCS(=O)(=O)O- InChIKey
HQHQXXGISHVBSM-XLQCLRHOSA-N- Molecular formula
- C42H48ClN5O13S2
- Average molar mass
- 930.4 g/mol
- Monoisotopic mass
- 929.2378566
Names & identifiers
- Preferred name
- Batefenterol edisylate
- IUPAC
- [1-[3-[2-chloro-4-[[[(2R)-2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]methyl]-5-methoxyanilino]-3-oxopropyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate;ethane-1,2-disulfonic acid
Names & synonyms
Batefenterol edisylateSCHEMBL380875EX-A2812AHQHQXXGISHVBSM-XLQCLRHOSA-N876126-19-1Biphenyl-2-ylcarbamic Acid 1-[2-(2-Chloro-4-{[(R)-2-hydroxy-2-(8-hydroxy-2-oxo-1,2-dihydroquinolin-5-yl)ethylamino]methyl}-5-methoxyphenylcarbamoyl)-ethyl]piperidin-4-yl Ester 1,2-Ethanedisulfonic Acid Salt
Database identifiers
- PubChem CID
- 11629376
Properties
Computed structural propertiesFilling in
- Topological polar surface area
- 287 Ų
- Hydrogen bond donors
- 8
- Hydrogen bond acceptors
- 15
- Rotatable bonds
- 17
- Heavy atoms
- 63
- Formal charge
- 0
- Complexity
- 1,470
Related reactions
4 records
Compound notes
Loading…