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Docusate sodium

CAT: 0931-T0929-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T0929-01Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
577-11-7
Target
HSV, Opioid Receptor
Related Pathways
Neuroscience, Microbiology/Virology, GPCR/G Protein, Endocrinology/Hormones
Purity
0.9977
Bioactivity
Docusate sodium (Aerosol OT) is an orally available, over-the-counter laxative and stool softener used to treat or prevent constipation. Docusate has not been linked to serum enzyme elevations during therapy or to clinically apparent liver injury with jaundice.
Smiles
[Na+].CCCCC(CC)COC(=O)CC(C(=O)OCC(CC)CCCC)S(=O)(=O)[O-]
Molecular Formula
C20H37NaO7S
Molecular Weight
444.56
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Docusate Sodium

Sodium docusate is an organic sodium salt.

CAS Number577-11-7
PubChem CID23673837
IUPAC Namesodium 1,4-bis(2-ethylhexoxy)-1,4-dioxobutane-2-sulfonate
Molecular FormulaC20H37NaO7S
Molecular Weight444.6
Topological Polar Surface Area118
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count7
Rotatable Bond Count18
Heavy Atom Count29
Formal Charge0
Complexity546
SMILES
CCCCC(CC)COC(=O)CC(C(=O)OCC(CC)CCCC)S(=O)(=O)[O-].[Na+]
InChI
InChI=1S/C20H38O7S.Na/c1-5-9-11-16(7-3)14-26-19(21)13-18(28(23,24)25)20(22)27-15-17(8-4)12-10-6-2;/h16-18H,5-15H2,1-4H3,(H,23,24,25);/q;+1/p-1
InChIKey
APSBXTVYXVQYAB-UHFFFAOYSA-M
Chemical Structure
2D Structure
2D structure of Docusate Sodium
CAS: 577-11-7
CID: 23673837
Formula: C20H37NaO7S
MW: 444.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight444.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count7
Rotatable Bond Count18
Exact Mass444.21576897
Monoisotopic Mass444.21576897
Topological Polar Surface Area118 Ų
Heavy Atom Count29
Formal Charge0
Complexity546
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count3
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
MBS3605106-01Docusate sodium
HY-B1268-01Docusate (Sodium)
HY-146525SDocusate-d34 (sodium)
HY-B1268R-01Docusate (Sodium) (Standard)
A16155-500Docusate Sodium 500mg
A16155-200Docusate Sodium 200mg
A16155-100Docusate Sodium 100mg
A16155-50Docusate Sodium 50mg
RM-D150311-01Docusate sodium Impurity 11
RM-D150309-01Docusate Sodium Impurity 9

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