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Propanidid

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

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Identification

Generic Name
Propanidid
DrugBank Accession Number
DB13234
Background

An intravenous anesthetic that has been used for rapid induction of anesthesia and for maintenance of anesthesia of short duration. (From Martindale, The Extra Pharmacopoeia, 30th ed, p918)

Type
Small Molecule
Groups
Experimental
Structure
3D
Similar Structures
Weight
Average: 337.416
Monoisotopic: 337.188922973
Chemical Formula
C18H27NO5
Synonyms
  • Propanidid
  • Propanidido
  • Propanididum
External IDs
  • BAYER 1420
  • BAYER-1420
  • FBA 1420
  • FBA-1420
  • TH-2180
  • WH 5668
  • WH-5668
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Pharmacology

Indication

Not Available

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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

Adverse Effects
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Toxicity

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.
DrugInteraction
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interactions in your software
1,2-BenzodiazepineThe risk or severity of CNS depression can be increased when 1,2-Benzodiazepine is combined with Propanidid.
AcetazolamideThe risk or severity of CNS depression can be increased when Acetazolamide is combined with Propanidid.
AcetophenazineThe risk or severity of CNS depression can be increased when Acetophenazine is combined with Propanidid.
AgomelatineThe risk or severity of CNS depression can be increased when Agomelatine is combined with Propanidid.
AlfentanilThe risk or severity of CNS depression can be increased when Alfentanil is combined with Propanidid.
Food Interactions
Not Available

Products

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International/Other Brands
Epontol

Categories

ATC Codes
N01AX04 — Propanidid
Drug Categories
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of organic compounds known as anisoles. These are organic compounds containing a methoxybenzene or a derivative thereof.
Kingdom
Organic compounds
Super Class
Benzenoids
Class
Phenol ethers
Sub Class
Anisoles
Direct Parent
Anisoles
Alternative Parents
Phenoxy compounds / Methoxybenzenes / Alkyl aryl ethers / Tertiary carboxylic acid amides / Carboxylic acid esters / Monocarboxylic acids and derivatives / Organopnictogen compounds / Organonitrogen compounds / Organic oxides / Hydrocarbon derivatives
show 1 more
Substituents
Alkyl aryl ether / Anisole / Aromatic homomonocyclic compound / Carbonyl group / Carboxamide group / Carboxylic acid derivative / Carboxylic acid ester / Ether / Hydrocarbon derivative / Methoxybenzene
show 10 more
Molecular Framework
Aromatic homomonocyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
AO82L471NS
CAS number
1421-14-3
InChI Key
KEJXLQUPYHWCNM-UHFFFAOYSA-N
InChI
InChI=1S/C18H27NO5/c1-5-10-23-18(21)12-14-8-9-15(16(11-14)22-4)24-13-17(20)19(6-2)7-3/h8-9,11H,5-7,10,12-13H2,1-4H3
IUPAC Name
propyl 2-{4-[(diethylcarbamoyl)methoxy]-3-methoxyphenyl}acetate
SMILES
CCCOC(=O)CC1=CC(OC)=C(OCC(=O)N(CC)CC)C=C1

References

General References
Not Available
ChemSpider
14283
RxNav
8758
ChEBI
135432
ChEMBL
CHEMBL2105345
ZINC
ZINC000002039588
Wikipedia
Propanidid

Clinical Trials

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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 Solubility0.229 mg/mLALOGPS
logP2.8ALOGPS
logP2.15Chemaxon
logS-3.2ALOGPS
pKa (Strongest Acidic)16.59Chemaxon
pKa (Strongest Basic)-4.6Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count4Chemaxon
Hydrogen Donor Count0Chemaxon
Polar Surface Area65.07 Å2Chemaxon
Rotatable Bond Count11Chemaxon
Refractivity91.53 m3·mol-1Chemaxon
Polarizability37.52 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/MSsplash10-000i-0596000000-4cfc3f2d95601f239570
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-03dr-7895000000-0f21fb9c9c108d7684f8
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-01ot-8981000000-002aad3f3662c0792a2b
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-01po-9610000000-05acfb4950bd2bf4f678
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-00y0-3920000000-4c320186331facceaa3c
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-05bu-4961000000-245ee0e4842f064fb496
Predicted 1H NMR Spectrum1D NMRNot Applicable
Predicted 13C NMR Spectrum1D NMRNot Applicable
Chromatographic Properties
Collision Cross Sections (CCS)
AdductCCS Value (Å2)Source typeSource
[M-H]-196.2214728
predicted
DarkChem Lite v0.1.0
[M-H]-183.64986
predicted
DeepCCS 1.0 (2019)
[M+H]+196.4155728
predicted
DarkChem Lite v0.1.0
[M+H]+186.00786
predicted
DeepCCS 1.0 (2019)
[M+Na]+192.101
predicted
DeepCCS 1.0 (2019)

Drug created at June 23, 2017 20:38 / Updated at February 21, 2021 18:54