Basic information
- CAS
112420-09-4- Standard SMILES
O=C1NC(=O)[C@@]2(CCOc3ccc(F)cc32)N1- InChIKey
LXANPKRCLVQAOG-NSHDSACASA-N- Molecular formula
- C11H9FN2O3
- Average molar mass
- 236.2 g/mol
- Monoisotopic mass
- 236.05972032
Names & identifiers
- Preferred name
- Sorbinil
- IUPAC
- (4S)-6-fluorospiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione
- English name
- .beta.-L-Gulopyranose, 1,6-anhydro-2,3-O-(phenylmethylene)-, (S)-
- Molecular formula
- C13H14O5
- Molecular weight
- 250.25
Names & synonyms
Sorbinil68367-52-2SorbiniloSorbinilumCP-45634DTXSID0023587NSC-355082(S)-6-Fluorospiro(chroman-4,4'-imidazolidine)-2',5'-dioneCP-45,634CHEBI:102029G4186B906P(4S)-6-fluoro-2,3-dihydro-2'H,5'H-spiro[chromene-4,4'-imidazolidine]-2',5'-dione
Show more names
.beta.-L-Gulopyranose, 1,6-anhydro-2,3-O-(phenylmethylene)-, (S)-β-L-Gulopyranose, 1,6-anhydro-2,3-O-(phenylmethylene)-, (S)- (9CI)
CP 45,634DTXCID503587NSC355082Spiro(4H-1-benzopyran-4,4'-imidazolidine)-2',5'-dione, 6-fluoro-2,3-dihydro-, (S)-(4S)-6-fluorospiro(chroman-4,5'-imidazolidine)-2',4'-dione(4S)-6-fluorospiro[chroman-4,5'-imidazolidine]-2',4'-dione(4S)-6-fluoro-2,3-dihydro-2'H,5'H-spiro(chromene-4,4'-imidazolidine)-2',5'-dioneD-6-fluoro-spiro(chroman-4,4'-imidazolidine)-2',5'-dione
Database identifiers
- CAS
112420-09-4、68367-52-2- PubChem CID
- 337359
- DTXSID
DTXSID0023587- ChEMBL
CHEMBL266497- ChEBI
CHEBI:102029- UNII
- G4186B906P
- EC Number
- 684-722-7
- Nikkaji
- J19.107H
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 67.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 376
Experimental & physicochemical properties
LogP0.78
Safety & regulation
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Hazard information
Regulatory Information.beta.-L-Gulopyranose, 1,6-anhydro-2,3-O-(phenylmethylene)-, (S)-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Regulatory information
Regulatory Information.beta.-L-Gulopyranose, 1,6-anhydro-2,3-O-(phenylmethylene)-, (S)-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Chemistry & industry
Additional notes
DefinitionChEBI: Sorbinil is an azaspiro compound having a monofluoro-substituted chromane skeleton spiro-linked to an imidazolidinedione ring. It has a role as an EC 1.1.1.21 (aldehyde reductase) inhibitor and an antioxidant. It is an imidazolidinone, a member of chromanes, an oxaspiro compound, an azaspiro compound and an organofluorine compound.
Related reactions
1 records
Compound notes
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