Sugammadex Impurity 37

Product Information

Molecular Formula:
C6H10O4S2
Molecular Weight:
210.27
Description
Sugammadex Impurity 37 is an impurity of sugammadex, a cyclodextrin agent indicated for the treatment of neuromuscular blockade induced by rocuronium and vecuronium. It inactivates rocuronium by encapsulating (chelating) the free molecule to form a stable complex.
Synonyms
3,3'-Dithiobis-propanoic Acid; β,β'-Dithiodipropionic Acid; 2-Carboxyethyl Disulfide; DTDPA; NSC 18841; NSC 677544
IUPAC Name
3-(2-carboxyethyldisulfanyl)propanoic acid
Canonical SMILES
C(CSSCCC(=O)O)C(=O)O
InChI
InChI=1S/C6H10O4S2/c7-5(8)1-3-11-12-4-2-6(9)10/h1-4H2,(H,7,8)(H,9,10)
InChI Key
YCLSOMLVSHPPFV-UHFFFAOYSA-N
Boiling Point
155-158 ℃
Melting Point
155-158 ℃ (lit.)
Purity
97 %
Density
1.319 (estimate) g/cm3
Solubility
Soluble in DMSO, Methanol
Appearance
Solid
Storage
-20 ℃
Refractive Index
1.5220 (estimate)
LogP
1.31720

Safety Information

Hazards
H315:
Causes skin irritation.
H319:
Causes serious eye irritation.
Precautionary Statement
P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word
Warning

Computed Properties

XLogP3
-0.1
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
6
Rotatable Bond Count
7
Exact Mass
210.00205114 g/mol
Monoisotopic Mass
210.00205114 g/mol
Topological Polar Surface Area
125Ų
Heavy Atom Count
12
Formal Charge
0
Complexity
142
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
1
Compound Is Canonicalized
Yes

Patents

Publication Number Title Priority Date
CN-114149543-A Self-repairing acrylate material and preparation method thereof 2021-12-16
CN-114041600-A Preparation method of anthocyanin-loaded phytosterol delivery system 2021-12-15
CN-113980270-A Bismaleimide composite material based on disulfide bond and Diels-Alder reaction and preparation method thereof 2021-12-01
CN-114015050-A Hyperbranched polysiloxane fluorescent material containing disulfide bond and preparation method thereof 2021-11-29
CN-114031744-A Diisocyanate carbomethoxycyclohexane composition, modified composition thereof and preparation method 2021-11-29
CN-114146177-A Copper-doped polydopamine nano-drug with stable hydroxyethyl starch prodrug, and preparation and application thereof 2021-11-24
CN-113845669-A Double-crosslinked network hydrogel and controllable preparation method thereof 2021-10-27
CN-113980238-A Xylylene diisocyanate composition and preparation method and application thereof 2021-10-27
CN-113912841-A PH and Redox dual-response diblock amphiphilic polymer prodrug and preparation method thereof 2021-10-22
CN-114028580-A Preparation method of podophyllotoxin twin drug nanoparticles 2021-09-30

Literatures

PMID Publication Date Title Journal
22054172 2012-01-31 Conjugated polymer nanoparticles for light-activated anticancer and antibacterial activity with imaging capability Langmuir : the ACS journal of surfaces and colloids
21754323 2011-05-01 (OC-6-35)-(2,2'-Bipyridine-κN,N')dimeth-yl(3-sulfido-propionato-κS,O)platinum(IV) Acta crystallographica. Section E, Structure reports online
20924576 2010-11-01 Investigations on the microbial catabolism of the organic sulfur compounds TDP and DTDP in Ralstonia eutropha H16 employing DNA microarrays Applied microbiology and biotechnology
19959574 2010-04-01 Biodegradation of the xenobiotic organic disulphide 4,4'-dithiodibutyric acid by Rhodococcus erythropolis strain MI2 and comparison with the microbial utilization of 3,3'-dithiodipropionic acid and 3,3'-thiodipropionic acid Microbiology (Reading, England)
22163445 2010-01-01 Electrochemical aptasensor for endocrine disrupting 17β-estradiol based on a poly(3,4-ethylenedioxylthiopene)-gold nanocomposite platform Sensors (Basel, Switzerland)
19543932 2009-08-01 Metabolites from an endophytic fungus sphaceloma sp. LN-15 isolated from the leaves of Melia azedarach Lipids
19055345 2009-01-05 Anaerobic photocleavage of DNA in red light by dicopper(II) complexes of 3,3'-dithiodipropionic acid Inorganic chemistry
22291565 2009-01-01 Tiny medicine: nanomaterial-based biosensors Sensors (Basel, Switzerland)
22346711 2009-01-01 Electroanalytical sensors and devices for multiplexed detection of foodborne pathogen microorganisms Sensors (Basel, Switzerland)
22408488 2009-01-01 A label-free electronic biosensor for detection of bone turnover markers Sensors (Basel, Switzerland)
The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

The dilution calculator equation

Concentration (start) × Volume (start) = Concentration (final) × Volume (final)

This equation is commonly abbreviated as: C1V1 = C2V2

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