Etamsylate

This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.

Identification

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Name
Etamsylate
Accession Number
DB13483
Type
Small Molecule
Groups
Experimental
Description
Not Available
Structure
Thumb
Synonyms
  • Ethamsylate
External IDs
E 141 / MD-141
Categories
UNII
24YL531VOH
CAS number
2624-44-4
Weight
Average: 263.31
Monoisotopic: 263.082743825
Chemical Formula
C10H17NO5S
InChI Key
HBGOLJKPSFNJSD-UHFFFAOYSA-N
InChI
InChI=1S/C6H6O5S.C4H11N/c7-4-1-2-5(8)6(3-4)12(9,10)11;1-3-5-4-2/h1-3,7-8H,(H,9,10,11);5H,3-4H2,1-2H3
IUPAC Name
2,5-dihydroxybenzene-1-sulfonic acid; diethylamine
SMILES
CCNCC.OC1=CC(=C(O)C=C1)S(O)(=O)=O

Pharmacology

Indication
Not Available
Pharmacodynamics
Not Available
Mechanism of action
Not Available
Absorption
Not Available
Volume of distribution
Not Available
Protein binding
Not Available
Metabolism
Not Available
Route of elimination
Not Available
Half life
Not Available
Clearance
Not Available
Toxicity
Not Available
Affected organisms
Not Available
Pathways
Not Available
Pharmacogenomic Effects/ADRs
Not Available

Interactions

Drug Interactions
This information should not be interpreted without the help of a healthcare provider. If you believe you are experiencing an interaction, contact a healthcare provider immediately. The absence of an interaction does not necessarily mean no interactions exist.
Not Available
Food Interactions
Not Available

References

General References
Not Available
External Links
ChemSpider
16553
RxNav
4112
ChEBI
31563
ChEMBL
CHEMBL1514715
Wikipedia
Etamsylate
ATC Codes
B02BX01 — Etamsylate

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
1, 2Not Yet RecruitingPreventionPostpartum Haemorrhage (PPH)1

Pharmacoeconomics

Manufacturers
Not Available
Packagers
Not Available
Dosage forms
Not Available
Prices
Not Available
Patents
Not Available

Properties

State
Not Available
Experimental Properties
Not Available
Predicted Properties
PropertyValueSource
Water Solubility17.4 mg/mLALOGPS
logP-0.9ALOGPS
logP1.2ChemAxon
logS-1ALOGPS
pKa (Strongest Acidic)-2.8ChemAxon
pKa (Strongest Basic)-6ChemAxon
Physiological Charge-1ChemAxon
Hydrogen Acceptor Count5ChemAxon
Hydrogen Donor Count3ChemAxon
Polar Surface Area94.83 Å2ChemAxon
Rotatable Bond Count3ChemAxon
Refractivity40.64 m3·mol-1ChemAxon
Polarizability15.98 Å3ChemAxon
Number of Rings1ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
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 benzenesulfonic acids and derivatives. These are organic compounds containing a sulfonic acid or a derivative thereof that is linked to a benzene ring.
Kingdom
Organic compounds
Super Class
Benzenoids
Class
Benzene and substituted derivatives
Sub Class
Benzenesulfonic acids and derivatives
Direct Parent
Benzenesulfonic acids and derivatives
Alternative Parents
Benzenesulfonyl compounds / 1-sulfo,2-unsubstituted aromatic compounds / Hydroquinones / 1-hydroxy-2-unsubstituted benzenoids / Sulfonyls / Organosulfonic acids / Dialkylamines / Organopnictogen compounds / Organooxygen compounds / Organic oxides
show 1 more
Substituents
Benzenesulfonate / Arylsulfonic acid or derivatives / Benzenesulfonyl group / 1-sulfo,2-unsubstituted aromatic compound / Hydroquinone / 1-hydroxy-2-unsubstituted benzenoid / Phenol / Sulfonyl / Organosulfonic acid / Organosulfonic acid or derivatives
show 13 more
Molecular Framework
Not Available
External Descriptors
Not Available

Drug created on June 23, 2017 14:42 / Updated on February 02, 2020 03:01