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Sivelestat sodium tetrahydrate

CAT: 0607-B8201-50Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0607-B8201-50Size:50 mg
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CAS Number
201677-61-4
Product Name Alternative
Sodium 2- (2- (4- (pivaloyloxy) phenylsulfonamido) benzamido) acetate tetrahydrate
Purity
0.98
Solubility
Soluble in DMSO
Smiles
CC (C) (C (OC1=CC=C (S (=O) (NC2=CC=CC=C2C (NCC ([O-]) =O) =O) =O) C=C1) =O) C.O.O.O.O.[Na+]
Molecular Formula
C20H29N2NaO11S
Molecular Weight
528.51
Shipping Conditions
Blue Ice
Storage Conditions
Store at -20°C
Physical Properties
A crystalline solid

Chemical Information

Sivelestat Sodium

Sivelestat sodium hydrate is a N-acylglycine. It is functionally related to a N-benzoylglycine.

CAS Number201677-61-4
PubChem CID23663985
IUPAC Namesodium;2-[[2-[[4-(2,2-dimethylpropanoyloxy)phenyl]sulfonylamino]benzoyl]amino]acetate;tetrahydrate
Molecular FormulaC20H29N2NaO11S
Molecular Weight528.5
Topological Polar Surface Area154
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count12
Rotatable Bond Count9
Heavy Atom Count35
Formal Charge0
Complexity738
SMILES
CC(C)(C)C(=O)OC1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC=C2C(=O)NCC(=O)[O-].O.O.O.O.[Na+]
InChI
InChI=1S/C20H22N2O7S.Na.4H2O/c1-20(2,3)19(26)29-13-8-10-14(11-9-13)30(27,28)22-16-7-5-4-6-15(16)18(25)21-12-17(23)24;;;;;/h4-11,22H,12H2,1-3H3,(H,21,25)(H,23,24);;4*1H2/q;+1;;;;/p-1
InChIKey
PLHREJBSQUSUCW-UHFFFAOYSA-M
Chemical Structure
2D Structure
2D structure of Sivelestat Sodium
CAS: 201677-61-4
CID: 23663985
Formula: C20H29N2NaO11S
MW: 528.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight528.5
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count12
Rotatable Bond Count9
Exact Mass528.13897520
Monoisotopic Mass528.13897520
Topological Polar Surface Area154 Ų
Heavy Atom Count35
Formal Charge0
Complexity738
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count6
Compound Is CanonicalizedYes

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Alternative Products

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GTR19202093-01Sivelestat sodium tetrahydrate
HY-17443B-01Sivelestat (sodium tetrahydrate)
HY-17443BR-01Sivelestat (sodium tetrahydrate) (Standard)
466150-01Sivelestat Sodium
HY-17443A-01Sivelestat (sodium)

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