This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Identification
- Generic Name
- Methoserpidine
- DrugBank Accession Number
- DB13631
- Background
Not Available
- Type
- Small Molecule
- Groups
- Experimental
- Structure
Structure for Methoserpidine (DB13631)
- Weight
- Average: 608.688
Monoisotopic: 608.273380876 - Chemical Formula
- C33H40N2O9
- Synonyms
- Methoserpidine
- External IDs
- NSC-169423
- R 694
- R-694
Pharmacology
- Indication
Not Available
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Prevent Adverse Drug Events TodayTap into our Clinical API for life-saving information on contraindications & blackbox warnings, population restrictions, harmful risks, & more.Avoid life-threatening adverse drug events with our Clinical API- 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
Improve decision support & research outcomesWith structured adverse effects data, including: blackbox warnings, adverse reactions, warning & precautions, & incidence rates. View sample adverse effects data in our new Data Library!Improve decision support & research outcomes with our structured adverse effects data.- 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.
Drug Interaction Integrate drug-drug
interactions in your softwareAbaloparatide Abaloparatide may increase the hypotensive activities of Methoserpidine. Acebutolol Acebutolol may increase the hypotensive activities of Methoserpidine. Aceclofenac The therapeutic efficacy of Methoserpidine can be decreased when used in combination with Aceclofenac. Acemetacin The therapeutic efficacy of Methoserpidine can be decreased when used in combination with Acemetacin. Acetylsalicylic acid Acetylsalicylic acid may decrease the antihypertensive activities of Methoserpidine. - Food Interactions
- Not Available
Categories
- ATC Codes
- C02AA06 — Methoserpidine
- C02AA — Rauwolfia alkaloids
- C02A — ANTIADRENERGIC AGENTS, CENTRALLY ACTING
- C02 — ANTIHYPERTENSIVES
- C — CARDIOVASCULAR SYSTEM
- 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 / Gallic acid and derivatives / M-methoxybenzoic acids and derivatives / P-methoxybenzoic acids and derivatives / 3-alkylindoles / Benzoic acid esters / Anisoles / Methoxybenzenes / Phenoxy compounds show 16 more
- Substituents
- 3-alkylindole / Alkyl aryl ether / Amine / Amino acid or derivatives / Anisole / Aralkylamine / Aromatic heteropolycyclic compound / Azacycle / Benzenoid / Benzoate ester show 36 more
- Molecular Framework
- Aromatic heteropolycyclic compounds
- External Descriptors
- Not Available
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- 8F8C1JQH53
- CAS number
- 865-04-3
- InChI Key
- ULBNWNUHGJLQHO-VKMIBBQISA-N
- InChI
- InChI=1S/C33H40N2O9/c1-38-19-7-8-23-22(14-19)20-9-10-35-16-18-13-27(44-32(36)17-11-25(39-2)30(41-4)26(12-17)40-3)31(42-5)28(33(37)43-6)21(18)15-24(35)29(20)34-23/h7-8,11-12,14,18,21,24,27-28,31,34H,9-10,13,15-16H2,1-6H3/t18-,21+,24-,27-,28+,31+/m1/s1
- IUPAC Name
- methyl (1R,15S,17R,18R,19S,20S)-7,18-dimethoxy-17-(3,4,5-trimethoxybenzoyloxy)-3,13-diazapentacyclo[11.8.0.0^{2,10}.0^{4,9}.0^{15,20}]henicosa-2(10),4,6,8-tetraene-19-carboxylate
- SMILES
- CO[C@H]1[C@@H](C[C@@H]2CN3CCC4=C(NC5=CC=C(OC)C=C45)[C@H]3C[C@@H]2[C@@H]1C(=O)OC)OC(=O)C1=CC(OC)=C(OC)C(OC)=C1
References
- General References
- Not Available
- External Links
- ChemSpider
- 64824
- 235829
- ChEBI
- 135848
- ChEMBL
- CHEMBL3989541
- ZINC
- ZINC000056898766
- Wikipedia
- Methoserpidine
Clinical Trials
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
Property Value Source Water Solubility 0.0113 mg/mL ALOGPS logP 4.05 ALOGPS logP 3.53 Chemaxon logS -4.7 ALOGPS pKa (Strongest Acidic) 16.65 Chemaxon pKa (Strongest Basic) 7.03 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 8 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 117.78 Å2 Chemaxon Rotatable Bond Count 10 Chemaxon Refractivity 161.42 m3·mol-1 Chemaxon Polarizability 66.18 Å3 Chemaxon Number of Rings 6 Chemaxon Bioavailability 1 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule Yes Chemaxon - Predicted ADMET Features
- Not Available
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
- Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source [M-H]- 251.8209 predictedDeepCCS 1.0 (2019) [M+H]+ 253.71632 predictedDeepCCS 1.0 (2019) [M+Na]+ 259.99155 predictedDeepCCS 1.0 (2019)
Drug created at June 23, 2017 20:45 / Updated at February 21, 2021 18:54