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About This Item
Empirical Formula (Hill Notation):
C20H17FO3S
CAS Number:
Molecular Weight:
356.41
NACRES:
NA.21
PubChem Substance ID:
UNSPSC Code:
41116107
EC Number:
253-819-2
MDL number:
Quality Segment
agency
USP/NF, meets USP testing specifications
application(s)
pharmaceutical (small molecule)
SMILES string
CC1=C(CC(O)=O)c2cc(F)ccc2\C1=C/c3ccc(cc3)S(C)=O
InChI
1S/C20H17FO3S/c1-12-17(9-13-3-6-15(7-4-13)25(2)24)16-8-5-14(21)10-19(16)18(12)11-20(22)23/h3-10H,11H2,1-2H3,(H,22,23)/b17-9-
InChI key
MLKXDPUZXIRXEP-MFOYZWKCSA-N
Gene Information
human ... ALB(213), PTGS1(5742), PTGS2(5743)
Biochem/physiol Actions
Nonsteroidal anti-inflammatory; preferential inhibitor of COX-1.
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Signal Word
Danger
Hazard Codes
Hazard Classifications
Acute Tox. 3 Oral - Repr. 2 - Resp. Sens. 1 - Skin Sens. 1
Storage Class
6.1C - Combustible acute toxic Cat.3 / toxic compounds or compounds which causing chronic effects
PPE (personal protective equipment)
Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges
Precautionary Statements
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