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About This Item
Empirical Formula (Hill Notation):
C15H13N3O4S
CAS Number:
Molecular Weight:
331.35
NACRES:
NA.21
PubChem Substance ID:
UNSPSC Code:
41116107
EC Number:
252-974-3
MDL number:
Quality Level
agency
USP/NF, meets USP testing specifications
form
solid
application(s)
pharmaceutical (small molecule)
storage temp.
2-8°C
SMILES string
CN1C(C(=O)Nc2ccccn2)=C(O)c3ccccc3S1(=O)=O
InChI
1S/C15H13N3O4S/c1-18-13(15(20)17-12-8-4-5-9-16-12)14(19)10-6-2-3-7-11(10)23(18,21)22/h2-9,19H,1H3,(H,16,17,20)
InChI key
QYSPLQLAKJAUJT-UHFFFAOYSA-N
Gene Information
human ... PTGS1(5742), PTGS2(5743)
rat ... Alox5(25290)
Biochem/physiol Actions
Cyclooxygenase inhibitor.
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signalword
Danger
hcodes
Hazard Classifications
Acute Tox. 3 Oral - STOT RE 2 Oral
target_organs
Gastrointestinal tract
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, Faceshields, Gloves
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