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Propofol sulfate sodium

CAT: 0931-TYD-02096-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-TYD-02096-01Size:10 mg
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CAS Number
2748343-63-5
Target
Drug Metabolite
Related Pathways
Metabolism
Bioactivity
Propofolsulfate (sodium) is a metabolite of Propofol.
Smiles
O=S([O-])(OC1=C(C(C)C)C=CC=C1C(C)C)=O.[Na+]
Molecular Formula
C12H17NaO4S
Molecular Weight
280.316
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

1-(Hydrogensulfate)2,6-bis(1-methylethyl)-phenol,monosodiumsalt
CAS Number2748343-63-5
PubChem CID137699842
IUPAC Namesodium [2,6-di(propan-2-yl)phenyl] sulfate
Molecular FormulaC12H17NaO4S
Molecular Weight280.32
Topological Polar Surface Area74.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Heavy Atom Count18
Formal Charge0
Complexity318
SMILES
CC(C)C1=C(C(=CC=C1)C(C)C)OS(=O)(=O)[O-].[Na+]
InChI
InChI=1S/C12H18O4S.Na/c1-8(2)10-6-5-7-11(9(3)4)12(10)16-17(13,14)15;/h5-9H,1-4H3,(H,13,14,15);/q;+1/p-1
InChIKey
HWROCHTUCLVXNZ-UHFFFAOYSA-M
Chemical Structure
2D Structure
2D structure of 1-(Hydrogensulfate)2,6-bis(1-methylethyl)-phenol,monosodiumsalt
CAS: 2748343-63-5
CID: 137699842
Formula: C12H17NaO4S
MW: 280.32
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight280.32
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Exact Mass280.07452447
Monoisotopic Mass280.07452447
Topological Polar Surface Area74.8 Ų
Heavy Atom Count18
Formal Charge0
Complexity318
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
HY-172549Propofol sulfate (sodium)
GTR19253440-01Propofol sulfate sodium
TRC-H952505-1MG4-Hydroxy Propofol Sulfate Sodium Salt
463078-01Propofol 1,4-Bis (sodium Sulfate)
463080-01Propofol 4-Hydroxy 1-Sodium Sulfate Salt
TRC-S673620-10GSodium Sulfate
715001OCTYL SULFATE SODIUM SALT (SODIUM OCTYL SULFATE)

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