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About This Item
Empirical Formula (Hill Notation):
C14H13NaO3
CAS Number:
Molecular Weight:
252.24
NACRES:
NA.21
PubChem Substance ID:
UNSPSC Code:
41116107
EC Number:
247-486-2
MDL number:
Quality Level
agency
USP/NF, meets USP testing specifications
form
powder
application(s)
pharmaceutical (small molecule)
SMILES string
[Na+].COc1ccc2cc(ccc2c1)[C@H](C)C([O-])=O
InChI
1S/C14H14O3.Na/c1-9(14(15)16)10-3-4-12-8-13(17-2)6-5-11(12)7-10;/h3-9H,1-2H3,(H,15,16);/q;+1/p-1/t9-;/m0./s1
InChI key
CDBRNDSHEYLDJV-FVGYRXGTSA-M
Gene Information
human ... PTGS1(5742), PTGS2(5743)
Biochem/physiol Actions
Cyclooxygenase (Prostaglandin H synthase 1 and 2) inhibitor.
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signalword
Danger
hcodes
Hazard Classifications
Acute Tox. 4 Oral - Repr. 1A
Storage Class
6.1C - Combustible acute toxic Cat.3 / toxic compounds or compounds which causing chronic effects
flash_point_f
Not applicable
flash_point_c
Not applicable
ppe
dust mask type N95 (US), Eyeshields, Gloves
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