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Analgin

CAT: 1410-M15189-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:1410-M15189-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
A drug that has analgesic, anti-inflammatory, and antipyretic properties.
CAS Number
5907-38-0
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
333.34
Molecular Formula
C13H16N3NaO4S
Notes
Research use only, not for human use.
Receptor
COX-1

Chemical Information

Sulpyrine

Sulpyrine is an organic molecular entity.

CAS Number5907-38-0
PubChem CID23674183
IUPAC Namesodium;[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-methylamino]methanesulfonate;hydrate
Molecular FormulaC13H18N3NaO5S
Molecular Weight351.36
Topological Polar Surface Area93.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Heavy Atom Count23
Formal Charge0
Complexity552
SMILES
CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N(C)CS(=O)(=O)[O-].O.[Na+]
InChI
InChI=1S/C13H17N3O4S.Na.H2O/c1-10-12(14(2)9-21(18,19)20)13(17)16(15(10)3)11-7-5-4-6-8-11;;/h4-8H,9H2,1-3H3,(H,18,19,20);;1H2/q;+1;/p-1
InChIKey
UNZIDPIPYUMVPA-UHFFFAOYSA-M
Chemical Structure
2D Structure
2D structure of Sulpyrine
CAS: 5907-38-0
CID: 23674183
Formula: C13H18N3NaO5S
MW: 351.36
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight351.36
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Exact Mass351.08648614
Monoisotopic Mass351.08648614
Topological Polar Surface Area93.4 Ų
Heavy Atom Count23
Formal Charge0
Complexity552
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count3
Compound Is CanonicalizedYes

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