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Metoserpate

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
Metoserpate
DrugBank Accession Number
DB11530
Background

Not Available

Type
Small Molecule
Groups
Vet approved
Structure
3D
Similar Structures
Weight
Average: 428.529
Monoisotopic: 428.231122138
Chemical Formula
C24H32N2O5
Synonyms
  • Methyl O-methyl-18-epireserpate
  • Metoserpate
  • Metoserpato
  • Metoserpatum
External IDs
  • SU 9064
  • SU-9064
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Pharmacology

Indication

Not Available

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Contraindications & Blackbox Warnings
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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
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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

Products

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Product Ingredients
IngredientUNIICASInChI Key
Metoserpate hydrochlorideKBO74093391178-29-6RVUCXCLULXWKIQ-PKNINNMNSA-N

Categories

Drug Categories
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of organic compounds known as yohimbine alkaloids. These are alkaloids containing the pentacyclic yohimban skeleton. The Yohimbinoid alkaloids contain a carbocyclic ring E arising through C-17 to C-18 bond formation in a corynantheine precursor.
Kingdom
Organic compounds
Super Class
Alkaloids and derivatives
Class
Yohimbine alkaloids
Sub Class
Not Available
Direct Parent
Yohimbine alkaloids
Alternative Parents
Corynanthean-type alkaloids / Beta carbolines / 3-alkylindoles / Anisoles / Alkyl aryl ethers / Aralkylamines / Piperidines / Pyrroles / Methyl esters / Heteroaromatic compounds
show 9 more
Substituents
3-alkylindole / Alkyl aryl ether / Amine / Amino acid or derivatives / Anisole / Aralkylamine / Aromatic heteropolycyclic compound / Azacycle / Benzenoid / Beta-carboline
show 26 more
Molecular Framework
Aromatic heteropolycyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
X3G4L02XQU
CAS number
1178-28-5
InChI Key
FPGCYQVKNKEGRQ-SXLQGMKLSA-N
InChI
InChI=1S/C24H32N2O5/c1-28-14-5-6-15-16-7-8-26-12-13-9-20(29-2)23(30-3)21(24(27)31-4)17(13)11-19(26)22(16)25-18(15)10-14/h5-6,10,13,17,19-21,23,25H,7-9,11-12H2,1-4H3/t13-,17+,19-,20+,21+,23+/m1/s1
IUPAC Name
methyl (1R,15S,17S,18R,19S,20S)-6,17,18-trimethoxy-3,13-diazapentacyclo[11.8.0.0^{2,10}.0^{4,9}.0^{15,20}]henicosa-2(10),4(9),5,7-tetraene-19-carboxylate
SMILES
[H][C@]12C[C@H](OC)[C@H](OC)[C@@H](C(=O)OC)[C@@]1([H])C[C@@]1([H])N(CCC3=C1NC1=C3C=CC(OC)=C1)C2

References

General References
  1. Reynolds WA, Maplesden DC: Metoserpate Hydrochloride for the treatment of hysteria in replacement pullets. Avian Dis. 1977 Oct-Dec;21(4):720-3. [Article]
  2. Parker EL: Product report Pacitran (SU 9064)-(metoserpate hydrochloride)-tranquilizer for specific stresses in poultry. Veterinarian. 1969 Apr;6(1):7-9. [Article]
ChemSpider
59636
ChEMBL
CHEMBL2110987
ZINC
ZINC000004213849

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 Solubility0.155 mg/mLALOGPS
logP2.81ALOGPS
logP2.15Chemaxon
logS-3.4ALOGPS
pKa (Strongest Acidic)16.29Chemaxon
pKa (Strongest Basic)6.99Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count5Chemaxon
Hydrogen Donor Count1Chemaxon
Polar Surface Area73.02 Å2Chemaxon
Rotatable Bond Count5Chemaxon
Refractivity116.96 m3·mol-1Chemaxon
Polarizability48.29 Å3Chemaxon
Number of Rings5Chemaxon
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/MSsplash10-004i-0001900000-874cfbed523e7ee9f4bb
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-004i-0007900000-1721cd122ba51a2f0c7d
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-004i-0003900000-1c5fdc3fe7591dca31f4
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-004s-0009400000-e2cef4841e706b30d997
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-01ya-1319200000-bc97b82d8a51bb06d477
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-0udi-0019100000-04c1761167209c03d384
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]-224.9626146
predicted
DarkChem Lite v0.1.0
[M-H]-196.76393
predicted
DeepCCS 1.0 (2019)
[M+H]+225.1644146
predicted
DarkChem Lite v0.1.0
[M+H]+198.58882
predicted
DeepCCS 1.0 (2019)
[M+Na]+225.5869146
predicted
DarkChem Lite v0.1.0
[M+Na]+204.19466
predicted
DeepCCS 1.0 (2019)

Drug created at February 26, 2016 17:36 / Updated at February 21, 2021 18:53