Firocoxib
Properties
- Molecular formula
- C17H20O5S
- Molar mass
- 336.40 g/mol
- Exact mass
- 336.1031 Da
- logP
- 2.56Crippen estimate
- Polar surface area
- 69.7 Ų
- H-bond donors / acceptors
- 0 / 5
- Rotatable bonds
- 5
Hazards
Danger
- H360 May damage fertility or the unborn child33.3% of notifiers
- H360D May damage the unborn child33.3% of notifiers
- H361 Suspected of damaging fertility or the unborn child66.7% of notifiers
- H373 May causes damage to organs through prolonged or repeated exposure100% of notifiers
- H412 Harmful to aquatic life with long lasting effects33.3% of notifiers
Aggregated from 3 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P203, P260, P273, P280, P318, P319, P405, P501
Identifiers
CAS number
189954-96-9SMILES
CC1(C)OC(=O)C(OCC2CC2)=C1c1ccc(S(C)(=O)=O)cc1InChIKey
FULAPETWGIGNMT-UHFFFAOYSA-NInChI
InChI=1S/C17H20O5S/c1-17(2)14(12-6-8-13(9-7-12)23(3,19)20)15(16(18)22-17)21-10-11-4-5-11/h6-9,11H,4-5,10H2,1-3H3Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
8 names
- 2(5H)-Furanone, 3-(cyclopropylmethoxy)-5,5-dimethyl-4-[4-(methylsulfonyl)phenyl]-
- 3-(Cyclopropylmethoxy)-5,5-dimethyl-4-[4-(methylsulfonyl)phenyl]-2(5H)-furanone
- Equixx
- ML 1785713
- Librens
- Previcox
- Equioxx
- 3-(Cyclopropyl-methoxy)-5,5-Dimethy l-4-(4-methylsulfonyl)phenyl)-5H-furan-2-one
Work with Firocoxib
Similar compounds
Rofecoxib162011-90-741 % similar
1-[4-(Methylsulfonyl)phenyl]ethanone10297-73-137 % similar
2-Bromo-4'-(methylsulfonyl)acetophenone50413-24-637 % similar
4-(Methylsulfonyl)benzoic acid4052-30-637 % similar
4-(Methylsulfonyl)phenylacetic acid90536-66-632 % similar
4-Fluorophenyl methyl sulfone455-15-232 % similar
D-P-Methyl sulfone phenyl ethyl serinate36983-12-732 % similar
1-(6-Methylpyridin-3-yl)-2-[4-(methylsulfonyl)phenyl]ethanone221615-75-431 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.