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Pentosan Polysulfate Sodium

CAT: 0957-S3500-100mgSize: 100 mgDry Ice: NoHazardous: No
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CAT#:0957-S3500-100mgSize:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
140207-93-8
Synonyms
PPS, Elmiron
Target
HIV
Applications
Microbiology
Molecular Formula
(C5H6Na2O10S2) n
Additionnal Information
Pentosan Polysulfate Sodium (PPS, Elmiron) is an orally bioavailable, semi-synthetic medication with anti-inflammatory and pro-chondrogenic properties. Pentosan Polysulfate Sodium also exhibits anti-HIV-1 activity.
Storage Conditions
3 years -20°C powder

Chemical Information

Elmiron

See also: Pentosan Polysulfate Sodium (annotation moved to); xylan, hydrogen sulfate, sodium salt (annotation moved to) ... View More ...

CAS Number140207-93-8
PubChem CID92043424
IUPAC Namedecasodium;3-methoxy-6-[2-(6-methoxy-4,5-disulfonatooxyoxan-3-yl)oxy-5-[5-(5-methoxy-3,4-disulfonatooxyoxan-2-yl)oxy-3,4-disulfonatooxyoxan-2-yl]oxy-4-sulfonatooxyoxan-3-yl]oxy-4,5-disulfonatooxyoxane-2-carboxylate
Molecular FormulaC29H38Na10O50S9
Molecular Weight1705.1
Topological Polar Surface Area824
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count50
Rotatable Bond Count20
Heavy Atom Count98
Formal Charge0
Complexity3290
SMILES
COC1COC(C(C1OS(=O)(=O)[O-])OS(=O)(=O)[O-])OC2COC(C(C2OS(=O)(=O)[O-])OS(=O)(=O)[O-])OC3COC(C(C3OS(=O)(=O)[O-])OC4C(C(C(C(O4)C(=O)[O-])OC)OS(=O)(=O)[O-])OS(=O)(=O)[O-])OC5COC(C(C5OS(=O)(=O)[O-])OS(=O)(=O)[O-])OC.[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]
InChI
InChI=1S/C29H48O50S9.10Na/c1-59-8-4-63-27(21(77-86(50,51)52)12(8)71-80(32,33)34)68-11-7-65-28(22(78-87(53,54)55)15(11)74-83(41,42)43)67-9-6-64-26(66-10-5-62-25(61-3)20(76-85(47,48)49)14(10)73-82(38,39)40)19(13(9)72-81(35,36)37)70-29-23(79-88(56,57)58)17(75-84(44,45)46)16(60-2)18(69-29)24(30)31;;;;;;;;;;/h8-23,25-29H,4-7H2,1-3H3,(H,30,31)(H,32,33,34)(H,35,36,37)(H,38,39,40)(H,41,42,43)(H,44,45,46)(H,47,48,49)(H,50,51,52)(H,53,54,55)(H,56,57,58);;;;;;;;;;/q;10*+1/p-10
InChIKey
MSJQCBORNZDNDU-UHFFFAOYSA-D
Chemical Structure
2D Structure
2D structure of Elmiron
CAS: 140207-93-8
CID: 92043424
Formula: C29H38Na10O50S9
MW: 1705.1
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1705.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count50
Rotatable Bond Count20
Exact Mass1703.6894156
Monoisotopic Mass1703.6894156
Topological Polar Surface Area824 Ų
Heavy Atom Count98
Formal Charge0
Complexity3290
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count21
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count11
Compound Is CanonicalizedYes

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Alternative Products

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165714Anti Pentosan Polysulfate Pab
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