Sugammadex

Identification

Name
Sugammadex
Accession Number
DB06206
Type
Small Molecule
Groups
Approved
Description

Sugammadex is a selective relaxant binding agent indicated for reversal of neuromuscular blockade induced by rocuronium bromide and vecuronium bromide during surgery in adults. Rocuronium bromide and vecuronium bromide are neuromuscular blocking medications that cause temporary paralysis and are especially useful for general anesthesia, ventilation, or tracheal intubation that patients may require for surgery. Sugammadex provides a new treatment option to reverse the effects of those medications and possibly help patients recover sooner post-surgery. Sugammadex (brand name Bridion) is marketed by Merck Sharp and Dohme, and was approved by the United States FDA on December 15, 2015.

Structure
Thumb
Synonyms
Not Available
External IDs
ORG-25969
Product Ingredients
IngredientUNIICASInChI Key
Sugammadex sodiumERJ6X2MXV7343306-79-6KMGKABOMYQLLDJ-UHFFFAOYSA-F
Prescription Products
NameDosageStrengthRouteLabellerMarketing StartMarketing End
BridionSolution100 mgIntravenousMerck Ltd.2016-02-19Not applicableCanada
BridionInjection, solution100 mg/mLIntravenousMerck Sharp & Dohme Limited2015-12-15Not applicableUs
BridionInjection, solution100 mg/mLIntravenousMerck Sharp & Dohme Limited2015-12-15Not applicableUs
Categories
UNII
361LPM2T56
CAS number
343306-71-8
Weight
Average: 2002.12
Monoisotopic: 2000.408874758
Chemical Formula
C72H112O48S8
InChI Key
WHRODDIHRRDWEW-VTHZAVIASA-N
InChI
InChI=1S/C72H112O48S8/c73-33(74)1-9-121-17-25-57-41(89)49(97)65(105-25)114-58-26(18-122-10-2-34(75)76)107-67(51(99)43(58)91)116-60-28(20-124-12-4-36(79)80)109-69(53(101)45(60)93)118-62-30(22-126-14-6-38(83)84)111-71(55(103)47(62)95)120-64-32(24-128-16-8-40(87)88)112-72(56(104)48(64)96)119-63-31(23-127-15-7-39(85)86)110-70(54(102)46(63)94)117-61-29(21-125-13-5-37(81)82)108-68(52(100)44(61)92)115-59-27(19-123-11-3-35(77)78)106-66(113-57)50(98)42(59)90/h25-32,41-72,89-104H,1-24H2,(H,73,74)(H,75,76)(H,77,78)(H,79,80)(H,81,82)(H,83,84)(H,85,86)(H,87,88)/t25-,26-,27-,28-,29-,30-,31-,32-,41-,42-,43-,44-,45-,46-,47-,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-/m1/s1
IUPAC Name
3-({[(1S,3S,5S,6S,8S,10S,11S,13S,15S,16S,18S,20S,21S,23S,25S,26S,28S,30S,31S,33S,35S,36S,38S,40S,41R,42R,43R,44R,45R,46R,47R,48R,49R,50R,51R,52R,53R,54R,55R,56R)-10,15,20,25,30,35,40-heptakis({[(2-carboxyethyl)sulfanyl]methyl})-41,42,43,44,45,46,47,48,49,50,51,52,53,54,55,56-hexadecahydroxy-2,4,7,9,12,14,17,19,22,24,27,29,32,34,37,39-hexadecaoxanonacyclo[36.2.2.2³,⁶.2⁸,¹¹.2¹³,¹⁶.2¹⁸,²¹.2²³,²⁶.2²⁸,³¹.2³³,³⁶]hexapentacontan-5-yl]methyl}sulfanyl)propanoic acid
SMILES
O[C@@H]1[C@@H](O)[C@@H]2O[C@H]3O[C@H](CSCCC(O)=O)[C@@H](O[C@H]4O[C@H](CSCCC(O)=O)[C@@H](O[C@H]5O[C@H](CSCCC(O)=O)[C@@H](O[C@H]6O[C@H](CSCCC(O)=O)[C@@H](O[C@H]7O[C@H](CSCCC(O)=O)[C@@H](O[C@H]8O[C@H](CSCCC(O)=O)[C@@H](O[C@H]9O[C@H](CSCCC(O)=O)[C@@H](O[C@H]1O[C@@H]2CSCCC(O)=O)[C@H](O)[C@H]9O)[C@H](O)[C@H]8O)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O)[C@H](O)[C@H]5O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O

Pharmacology

Indication

Sugammadex is indicated for the reversal of neuromuscular blockade induced by rocuronium bromide and vecuronium bromide in adults undergoing surgery.

Associated Conditions
Pharmacodynamics
Not Available
Mechanism of action

Sugammadex is a modified gamma-cyclodextrin which forms very tight water soluble complexes at a 1:1 ratio with steroidal neuromuscular blocking drugs (rocuronium > vecuronium >> pancuronium). Sugammadex creates a concentration gradient which favors movement of rocurionium from the neuromuscular junction into the plasma, which quickly reverses rocuronium-induced neuromuscular blockade. The free rocuronium in the plasma are then bound tightly to sugammadex, assisting the diffusion of the remaining rocuronium molecules out of the neuromuscular junction and increasing bound and free rocuronium in the plasma.

Absorption

Sugammadex is administered intravenously.

Volume of distribution

At steady state, the volume of distribution is 11-14 L in adult patients with normal renal function.

Protein binding

Sugammadex does not bind plasma proteins.

Metabolism

No metabolites of sugammadex were observed during clinical studies.

Route of elimination

Renal excretion of unchanged product. >90 of dose is excreted within 24 hours. 0.02% is excreted in feces and air.

Half life

About 2 hours

Clearance

88L/min

Toxicity

Patients with severe renal impairment (with creatinine clearance below 30 mL/min) should avoid use of drug as their clearance of the drug is reduced and there is inconsistent evidence about its safety in this subset of patients.

Affected organisms
  • Humans and other mammals
Pathways
Not Available
Pharmacogenomic Effects/ADRs
Not Available

Interactions

Drug Interactions
DrugInteractionDrug group
AbciximabSugammadex may increase the anticoagulant activities of Abciximab.Approved
AcenocoumarolSugammadex may increase the anticoagulant activities of Acenocoumarol.Approved, Investigational
AncrodSugammadex may increase the anticoagulant activities of Ancrod.Approved, Investigational
Antithrombin III humanSugammadex may increase the anticoagulant activities of Antithrombin III human.Approved
ApixabanSugammadex may increase the anticoagulant activities of Apixaban.Approved
ArdeparinSugammadex may increase the anticoagulant activities of Ardeparin.Approved, Investigational, Withdrawn
ArgatrobanSugammadex may increase the anticoagulant activities of Argatroban.Approved, Investigational
BecaplerminSugammadex may increase the anticoagulant activities of Becaplermin.Approved, Investigational
BivalirudinSugammadex may increase the anticoagulant activities of Bivalirudin.Approved, Investigational
CertoparinSugammadex may increase the anticoagulant activities of Certoparin.Approved, Investigational
ChlormadinoneThe serum concentration of Chlormadinone can be decreased when it is combined with Sugammadex.Experimental
Citric AcidSugammadex may increase the anticoagulant activities of Citric Acid.Approved, Nutraceutical, Vet Approved
Cyproterone acetateThe serum concentration of Cyproterone acetate can be decreased when it is combined with Sugammadex.Approved, Investigational
Dabigatran etexilateSugammadex may increase the anticoagulant activities of Dabigatran etexilate.Approved
DalteparinSugammadex may increase the anticoagulant activities of Dalteparin.Approved
DanaparoidSugammadex may increase the anticoagulant activities of Danaparoid.Approved, Withdrawn
DarexabanSugammadex may increase the anticoagulant activities of Darexaban.Investigational
DesirudinSugammadex may increase the anticoagulant activities of Desirudin.Approved
DesogestrelThe serum concentration of Desogestrel can be decreased when it is combined with Sugammadex.Approved
DextranSugammadex may increase the anticoagulant activities of Dextran.Approved, Investigational, Vet Approved
DicoumarolSugammadex may increase the anticoagulant activities of Dicoumarol.Approved
DienogestThe serum concentration of Dienogest can be decreased when it is combined with Sugammadex.Approved
DrospirenoneThe serum concentration of Drospirenone can be decreased when it is combined with Sugammadex.Approved
Edetic AcidSugammadex may increase the anticoagulant activities of Edetic Acid.Approved, Vet Approved
EdoxabanSugammadex may increase the anticoagulant activities of Edoxaban.Approved
EnoxaparinSugammadex may increase the anticoagulant activities of Enoxaparin.Approved
Ethyl biscoumacetateSugammadex may increase the anticoagulant activities of Ethyl biscoumacetate.Withdrawn
Ethynodiol diacetateThe serum concentration of Ethynodiol diacetate can be decreased when it is combined with Sugammadex.Approved
EtonogestrelThe serum concentration of Etonogestrel can be decreased when it is combined with Sugammadex.Approved, Investigational
Ferulic acidSugammadex may increase the anticoagulant activities of Ferulic acid.Experimental
FluindioneSugammadex may increase the anticoagulant activities of Fluindione.Approved, Investigational
FondaparinuxSugammadex may increase the anticoagulant activities of Fondaparinux sodium.Approved, Investigational
GabexateSugammadex may increase the anticoagulant activities of Gabexate.Investigational
GestodeneThe serum concentration of Gestodene can be decreased when it is combined with Sugammadex.Approved, Investigational
GestrinoneThe serum concentration of Gestrinone can be decreased when it is combined with Sugammadex.Approved
HeparinSugammadex may increase the anticoagulant activities of Heparin.Approved, Investigational
Hydroxyprogesterone caproateThe serum concentration of Hydroxyprogesterone caproate can be decreased when it is combined with Sugammadex.Approved, Investigational
IdraparinuxSugammadex may increase the anticoagulant activities of Idraparinux.Investigational
LepirudinSugammadex may increase the anticoagulant activities of Lepirudin.Approved
LetaxabanSugammadex may increase the anticoagulant activities of Letaxaban.Investigational
LevonorgestrelThe serum concentration of Levonorgestrel can be decreased when it is combined with Sugammadex.Approved, Investigational
LynestrenolThe serum concentration of Lynestrenol can be decreased when it is combined with Sugammadex.Approved, Investigational
Medroxyprogesterone acetateThe serum concentration of Medroxyprogesterone acetate can be decreased when it is combined with Sugammadex.Approved, Investigational
Megestrol acetateThe serum concentration of Megestrol acetate can be decreased when it is combined with Sugammadex.Approved, Investigational, Vet Approved
MelagatranSugammadex may increase the anticoagulant activities of Melagatran.Experimental
NadroparinSugammadex may increase the anticoagulant activities of Nadroparin.Approved, Investigational
NafamostatSugammadex may increase the anticoagulant activities of Nafamostat.Approved, Investigational
Nomegestrol acetateThe serum concentration of Nomegestrol acetate can be decreased when it is combined with Sugammadex.Approved, Investigational
NorelgestrominThe serum concentration of Norelgestromin can be decreased when it is combined with Sugammadex.Approved, Investigational
NorethisteroneThe serum concentration of Norethisterone can be decreased when it is combined with Sugammadex.Approved
NorethynodrelThe serum concentration of Norethynodrel can be decreased when it is combined with Sugammadex.Approved
NorgestimateThe serum concentration of Norgestimate can be decreased when it is combined with Sugammadex.Approved, Investigational
NorgestrelThe serum concentration of Norgestrel can be decreased when it is combined with Sugammadex.Approved
NorgestrienoneThe serum concentration of Norgestrienone can be decreased when it is combined with Sugammadex.Experimental
OtamixabanSugammadex may increase the anticoagulant activities of Otamixaban.Investigational
Pentaerythritol TetranitrateSugammadex may increase the anticoagulant activities of Pentaerythritol Tetranitrate.Approved
Pentosan PolysulfateSugammadex may increase the anticoagulant activities of Pentosan Polysulfate.Approved
PhenindioneSugammadex may increase the anticoagulant activities of Phenindione.Approved, Investigational
PhenprocoumonSugammadex may increase the anticoagulant activities of Phenprocoumon.Approved, Investigational
Potassium CitrateSugammadex may increase the anticoagulant activities of Potassium Citrate.Approved, Investigational, Vet Approved
Protein CSugammadex may increase the anticoagulant activities of Protein C.Approved
Protein S humanSugammadex may increase the anticoagulant activities of Protein S human.Approved
ProtocatechualdehydeSugammadex may increase the anticoagulant activities of Protocatechualdehyde.Approved
QuingestanolThe serum concentration of Quingestanol can be decreased when it is combined with Sugammadex.Experimental
ReviparinSugammadex may increase the anticoagulant activities of Reviparin.Approved, Investigational
RivaroxabanSugammadex may increase the anticoagulant activities of Rivaroxaban.Approved
Sodium CitrateSugammadex may increase the anticoagulant activities of Sodium Citrate.Approved, Investigational
SulodexideSugammadex may increase the anticoagulant activities of Sulodexide.Approved, Investigational
ToremifeneThe therapeutic efficacy of Sugammadex can be decreased when used in combination with Toremifene.Approved, Investigational
TroxerutinSugammadex may increase the anticoagulant activities of Troxerutin.Investigational
UlipristalThe serum concentration of Ulipristal can be decreased when it is combined with Sugammadex.Approved
WarfarinSugammadex may increase the anticoagulant activities of Warfarin.Approved
XimelagatranSugammadex may increase the anticoagulant activities of Ximelagatran.Approved, Investigational, Withdrawn
Food Interactions
No interactions found.

References

General References
  1. Naguib M: Sugammadex: another milestone in clinical neuromuscular pharmacology. Anesth Analg. 2007 Mar;104(3):575-81. [PubMed:17312211]
  2. Schaller SJ, Fink H: Sugammadex as a reversal agent for neuromuscular block: an evidence-based review. Core Evid. 2013;8:57-67. doi: 10.2147/CE.S35675. Epub 2013 Sep 25. [PubMed:24098155]
  3. Nag K, Singh DR, Shetti AN, Kumar H, Sivashanmugam T, Parthasarathy S: Sugammadex: A revolutionary drug in neuromuscular pharmacology. Anesth Essays Res. 2013 Sep-Dec;7(3):302-6. doi: 10.4103/0259-1162.123211. [PubMed:25885973]
External Links
KEGG Drug
D05940
PubChem Compound
6918585
PubChem Substance
347827763
ChemSpider
32689915
ChEBI
90953
ChEMBL
CHEMBL2111107
Wikipedia
Sugammadex
ATC Codes
V03AB35 — Sugammadex
AHFS Codes
  • 92:12.00 — Antidotes
FDA label
Download (354 KB)

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
0Not Yet RecruitingPreventionIncidence of Postoperative Residual Curarization1
1CompletedTreatmentAnaphylaxis / Hypersensitivity1
1CompletedTreatmentHypersensitivity1
1CompletedTreatmentImpaired Renal Function1
1RecruitingTreatmentHigh-Frequency Jet Ventilation / Vocal Cord Resection1
2CompletedNot AvailableObesity, Morbid1
2CompletedTreatmentMorbidly Obese Patients1
2CompletedTreatmentAdjunct to general anesthesia therapy6
2Not Yet RecruitingPreventionCurarization, Postoperative Residual2
2, 3CompletedTreatmentOrganophosphate Poisoning1
2, 3Unknown StatusTreatmentNeuromuscular Blockade / Obesity, Morbid1
3Active Not RecruitingTreatmentMinor burns1
3CompletedPreventionProphylaxis against postoperative nausea and vomiting1
3CompletedTreatmentAnaesthesia therapy4
3CompletedTreatmentAnaesthesia therapy / Neuromuscular Blockade1
3CompletedTreatmentAntithrombotic Agents / Arthroplasty, Replacement, Hip / Arthroplasty, Replacement, Knee / Coagulation, Blood / Neuromuscular Blockade1
3CompletedTreatmentDiaphragmatic Dysfunction / Muscle Fatigue / Muscle Weakness1
3CompletedTreatmentNeuromuscular Blockade5
3CompletedTreatmentAdjunct to general anesthesia therapy / Neuromuscular Blockade2
3CompletedTreatmentPostoperative Neuromuscular Block1
3CompletedTreatmentSurgical Procedures, Elective1
3CompletedTreatmentAdjunct to general anesthesia therapy10
3RecruitingTreatmentGeneral Surgery1
3Unknown StatusNot AvailableNeuromuscular Blockade1
4Active Not RecruitingPreventionNeuromuscular Blockade / Postoperative Complications1
4Active Not RecruitingSupportive CareMuscle Relaxation1
4CompletedNot AvailableInjury to Nerve During Surgery1
4CompletedNot AvailableLaparoscopy / Neuromuscular Blockade / Pneumoperitoneum / Rating Scales / Surgical Conditions1
4CompletedBasic ScienceElectromyography / Respiratory Muscles1
4CompletedDiagnosticIntraocular Pressure Changes During Tracheal Extubation1
4CompletedOtherNeuromuscular Blockade2
4CompletedPreventionIncidence of Postoperative Nausea and Vomiting1
4CompletedScreeningSpinal Curvatures1
4CompletedTreatmentAnaesthesia1
4CompletedTreatmentAnaesthesia therapy1
4CompletedTreatmentAnesthesia Recovery1
4CompletedTreatmentBrain Cancer1
4CompletedTreatmentCaesarean Sections / Pregnancy1
4CompletedTreatmentCirrhosis and Chronic Liver Disease1
4CompletedTreatmentComplication of Ventilation Therapy / Observation of Neuromuscular Block / Postoperative Recovery1
4CompletedTreatmentGallbladder disorders1
4CompletedTreatmentIncomplete Reversal of Neuromuscular Block1
4CompletedTreatmentIntubation, Endotracheal1
4CompletedTreatmentKidney Failure,Chronic / Neuromuscular Blockade1
4CompletedTreatmentLaparoscopic Herniotomy1
4CompletedTreatmentMajor Abdominal Surgery1
4CompletedTreatmentNeuromuscular Block1
4CompletedTreatmentNeuromuscular Blockade2
4CompletedTreatmentObstructive Sleep Apnea (OSA)1
4CompletedTreatmentPostoperative Respiratory Condition1
4CompletedTreatmentPre-eclampsia Aggravated1
4CompletedTreatmentRespiratory-Gated Imaging Techniques1
4CompletedTreatmentReversal of Skeletal Muscle Relaxant / Underdosing of Skeletal Muscle Relaxants for Laparotomy1
4CompletedTreatmentUnderdosing of Other General Anesthetics1
4Enrolling by InvitationNot AvailableNeuromuscular Blockade1
4Enrolling by InvitationTreatmentGeneral Surgery1
4Enrolling by InvitationTreatmentNeuromuscular Blockade1
4Not Yet RecruitingDiagnosticResidual Neuromuscular Blockade1
4Not Yet RecruitingPreventionEmergence Delirium1
4Not Yet RecruitingPreventionPulmonary Complications1
4Not Yet RecruitingTreatmentGeneral Surgery / Postoperative pain1
4Not Yet RecruitingTreatmentGynecology / Surgery, Laparoscopic1
4Not Yet RecruitingTreatmentLaryngoscopic Surgical Procedures1
4Not Yet RecruitingTreatmentNeuromuscular Block1
4Not Yet RecruitingTreatmentNeuromuscular Block / Postoperative Residual Curarization1
4Not Yet RecruitingTreatmentRespiratory Insufficiency1
4RecruitingOtherNeuromuscular Blockade1
4RecruitingPreventionLaparoscopic Sleeve Gastrectomy / Prophylaxis against postoperative nausea and vomiting1
4RecruitingScreeningAnesthesia; Functional1
4RecruitingSupportive CareBladder Cancers / Malignant Neoplasms of Urinary Tract1
4RecruitingSupportive CareCoronary Artery Bypass Graft / Post CABG Extubation1
4RecruitingTreatmentAnaesthesia therapy / Neuromuscular Blockade1
4RecruitingTreatmentAnesthesia Recovery Period / Laparoscopy1
4RecruitingTreatmentAdjunct to general anesthesia therapy / Hip Fractures / Neuromuscular Blockade / Spinal Anaesthesia1
4RecruitingTreatmentMalignant Neoplasms of Digestive Organs / Malignant Neoplasms of Female Genital Organs / Malignant Neoplasms of Male Genital Organs / Malignant Neoplasms of Urinary Tract1
4RecruitingTreatmentMicrolaryngoscopy / Rigid Bronchoscopy1
4RecruitingTreatmentNeuromuscular Block1
4RecruitingTreatmentNeuromuscular Blockade3
4RecruitingTreatmentNeuromuscular Blockade / Respiratory Insufficiency1
4RecruitingTreatmentPost-operative Residual Curarization1
4RecruitingTreatmentPosterior Cervical Decompression and Fusion / Posterior Cervical Spine Surgery1
4RecruitingTreatmentProphylaxis against postoperative nausea and vomiting / Respiratory Conditions Due to Other External Agents1
4RecruitingTreatmentReversal of Neuromuscular Blockade1
4RecruitingTreatmentSpine Surgery1
4RecruitingTreatmentTime of a TOF Ratio >0,91
4Unknown StatusSupportive CareAnesthesia Recovery Period1
4Unknown StatusTreatmentAdult Subjects Undergoing Abdominal Surgery Under General Anesthesia1
4Unknown StatusTreatmentNeuromuscular Blockade1
4WithdrawnNot AvailableNeuromuscular Blockade1
Not AvailableCompletedNot AvailableAnesthesia Recovery Period, Neuromuscular Blockade1
Not AvailableCompletedNot AvailableNeuromuscular Blockade2
Not AvailableCompletedNot AvailableNeuromuscular Monitoring After Administration of Neuromuscular Blocking Agents in Different Types of Surgery1
Not AvailableCompletedNot AvailablePostoperative Residual Paralysis1
Not AvailableCompletedNot AvailableResidual Neuromuscular Block (TOF-ratio of 0.2)1
Not AvailableCompletedHealth Services ResearchMuscle Relaxation1
Not AvailableCompletedOtherAnesthesiology Management1
Not AvailableCompletedPreventionElderly Patients Undergoing Trans Pars Plana Vitrectomy With General Anesthesia1
Not AvailableCompletedScreeningPost Operative Cognitive Dysfunction1
Not AvailableCompletedSupportive CareNeuromuscular Block, Residual1
Not AvailableCompletedSupportive CareRobot-Assisted Laparoscopic Radical Prostatectomy1
Not AvailableCompletedTreatmentFasciculations / Intubating Conditions / Patients Satisfaction / Postoperative Myalgia / Throat Pain1
Not AvailableCompletedTreatmentNeuromuscular Blockade1
Not AvailableCompletedTreatmentAdjunct to general anesthesia therapy1
Not AvailableEnrolling by InvitationSupportive CareSupratentorial Brain Tumor Surgery1
Not AvailableRecruitingNot AvailableDelirium1
Not AvailableRecruitingNot AvailableResidual Neuromuscular Blockade1
Not AvailableRecruitingDiagnosticBlood Coagulation Tests ( INR, APTT)1
Not AvailableRecruitingOtherBMI >30 kg/m2 / Malignant Neoplasm of Stomach1
Not AvailableRecruitingOtherPostoperative Residual Curarization / Transplantation, Liver1
Not AvailableUnknown StatusTreatmentObesity, Morbid1
Not AvailableUnknown StatusTreatmentSurgical Procedure, Unspecified1

Pharmacoeconomics

Manufacturers
Not Available
Packagers
Not Available
Dosage forms
FormRouteStrength
Injection, solutionIntravenous100 mg/mL
SolutionIntravenous100 mg
Prices
Not Available
Patents
Patent NumberPediatric ExtensionApprovedExpires (estimated)
US7265009No2005-02-242020-08-07Us
US7265099No2000-08-072020-08-07Us
US6949527No2001-01-272021-01-27Us
USRE44733No2001-01-272021-01-27Us

Properties

State
Solid
Experimental Properties
Not Available
Predicted Properties
PropertyValueSource
Water Solubility26.6 mg/mLALOGPS
logP-0.69ALOGPS
logP-5.4ChemAxon
logS-1.9ALOGPS
pKa (Strongest Acidic)2.82ChemAxon
Physiological Charge-8ChemAxon
Hydrogen Acceptor Count48ChemAxon
Hydrogen Donor Count24ChemAxon
Polar Surface Area769.76 Å2ChemAxon
Rotatable Bond Count40ChemAxon
Refractivity432.64 m3·mol-1ChemAxon
Polarizability189.62 Å3ChemAxon
Number of Rings9ChemAxon
Bioavailability0ChemAxon
Rule of FiveNoChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleYesChemAxon
Predicted ADMET features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
SpectrumSpectrum TypeSplash Key
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSNot Available

Taxonomy

Description
This compound belongs to the class of organic compounds known as oligosaccharides. These are carbohydrates made up of 3 to 10 monosaccharide units linked to each other through glycosidic bonds.
Kingdom
Organic compounds
Super Class
Organic oxygen compounds
Class
Organooxygen compounds
Sub Class
Carbohydrates and carbohydrate conjugates
Direct Parent
Oligosaccharides
Alternative Parents
Oxanes / Secondary alcohols / Sulfenyl compounds / Polyols / Oxacyclic compounds / Dialkylthioethers / Carboxylic acids / Acetals / Organic oxides / Hydrocarbon derivatives
show 1 more
Substituents
Oligosaccharide / Oxane / Secondary alcohol / Acetal / Carboxylic acid derivative / Carboxylic acid / Polyol / Oxacycle / Thioether / Organoheterocyclic compound
show 8 more
Molecular Framework
Aliphatic heteropolycyclic compounds
External Descriptors
Not Available

Drug created on March 19, 2008 10:17 / Updated on July 16, 2018 21:24