Basic information
- Standard SMILES
COc1ccc2[nH]c([S+]([O-])Cc3ncc(C)c(OC)c3C)nc2c1.Oc1ccc2ccccc2c1-c1c(O)ccc2ccccc12- InChIKey
VOQLNFPLUMGPFC-UHFFFAOYSA-N- Molecular formula
- C37H33N3O5S
- Average molar mass
- 631.7 g/mol
- Monoisotopic mass
- 631.21409234
Names & identifiers
- Preferred name
- Esomeprazole BINOL
- IUPAC
- 1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol;6-methoxy-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]-1H-benzimidazole
Names & synonyms
Esomeprazole BINOLEsomeprazole S-BINOLVOQLNFPLUMGPFC-UHFFFAOYSA-N
Database identifiers
- PubChem CID
- 86641823
Properties
Computed structural properties
- Topological polar surface area
- 137 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 6
- Heavy atoms
- 46
- Formal charge
- 0
- Complexity
- 799
Related reactions
5 records
Compound notes
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