Lorajmine
Star0
This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Identification
- Generic Name
- Lorajmine
- DrugBank Accession Number
- DB13651
- Background
Not Available
- Type
- Small Molecule
- Groups
- Experimental
- Structure
- Weight
- Average: 402.92
Monoisotopic: 402.1710204 - Chemical Formula
- C22H27ClN2O3
- Synonyms
- Lorajmine
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
- 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 softwareAcebutolol Acebutolol may increase the arrhythmogenic activities of Lorajmine. Acetyldigitoxin Acetyldigitoxin may increase the arrhythmogenic activities of Lorajmine. Acrivastine The risk or severity of QTc prolongation can be increased when Acrivastine is combined with Lorajmine. Adenosine Adenosine may increase the arrhythmogenic activities of Lorajmine. Ajmaline Ajmaline may increase the arrhythmogenic activities of Lorajmine. - Food Interactions
- Not Available
Categories
- ATC Codes
- C01BA12 — Lorajmine
- Drug Categories
- Chemical TaxonomyProvided by Classyfire
- Description
- This compound belongs to the class of organic compounds known as ajmaline-sarpagine alkaloids. These are organic compounds containing either of the ajmalan, sarpagan skeleton, or derivative thereof. The Sarpagine (Akuammidine) group, based on the sarpagan nucleus, arises from bond formation between C-16 and C-5 of the corynantheine precursor. Ajmaline alkaloids are based on a 17,19-secoyohimban skeleton (oxayohimban) which is invariably present as an ether.
- Kingdom
- Organic compounds
- Super Class
- Alkaloids and derivatives
- Class
- Ajmaline-sarpagine alkaloids
- Sub Class
- Not Available
- Direct Parent
- Ajmaline-sarpagine alkaloids
- Alternative Parents
- Beta carbolines / Quinolizidines / Quinuclidines / Dialkylarylamines / Aralkylamines / Azepanes / Piperidines / Benzenoids / Alpha-halocarboxylic acid derivatives / Amino acids and derivatives show 9 more
- Substituents
- Alkanolamine / Alkyl chloride / Alkyl halide / Alpha-halocarboxylic acid derivative / Alpha-halocarboxylic acid or derivatives / Amine / Amino acid or derivatives / Aralkylamine / Aromatic heteropolycyclic compound / Azacycle show 26 more
- Molecular Framework
- Aromatic heteropolycyclic compounds
- External Descriptors
- Not Available
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- F96VX65849
- CAS number
- 47562-08-3
- InChI Key
- LAHDERDHXJFFJU-ZWNKPRIXSA-N
- InChI
- InChI=1S/C22H27ClN2O3/c1-3-11-12-8-15-19-22(13-6-4-5-7-14(13)24(19)2)9-16(25(15)21(11)27)18(12)20(22)28-17(26)10-23/h4-7,11-12,15-16,18-21,27H,3,8-10H2,1-2H3/t11-,12-,15-,16-,18-,19-,20+,21+,22+/m0/s1
- IUPAC Name
- (1R,9R,10S,12R,13S,14R,16S,17S,18R)-13-ethyl-14-hydroxy-8-methyl-8,15-diazahexacyclo[14.2.1.0^{1,9}.0^{2,7}.0^{10,15}.0^{12,17}]nonadeca-2,4,6-trien-18-yl 2-chloroacetate
- SMILES
- CC[C@@H]1[C@@H](O)N2[C@H]3C[C@]45[C@H](OC(=O)CCl)[C@H]3[C@H]1C[C@H]2[C@@H]4N(C)C1=CC=CC=C51
References
- General References
- Not Available
- External Links
- ChemSpider
- 34990507
- ChEBI
- 135646
- ZINC
- ZINC000056897614
- Wikipedia
- Lorajmine
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 0.438 mg/mL ALOGPS logP 2.96 ALOGPS logP 2.83 Chemaxon logS -3 ALOGPS pKa (Strongest Acidic) 13.33 Chemaxon pKa (Strongest Basic) 7.27 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 4 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 53.01 Å2 Chemaxon Rotatable Bond Count 4 Chemaxon Refractivity 106.47 m3·mol-1 Chemaxon Polarizability 42.62 Å3 Chemaxon Number of Rings 6 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon - Predicted ADMET Features
- Not Available
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
Spectrum Spectrum Type Splash Key Predicted MS/MS Spectrum - 10V, Positive (Annotated) Predicted LC-MS/MS splash10-0udi-0000900000-d71693aad9939ab120c7 Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS splash10-0udl-5000900000-18e53adace60c6e6b1bb Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS splash10-0udl-7000900000-a9ac53a8d9694763254c Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS splash10-0zfr-0006900000-f2868cfcfffb10d9c72b Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS splash10-0zfs-0079500000-595023dc1aa337a2ed94 Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS splash10-0fdo-9013400000-f61f89575262234e2616 Predicted 1H NMR Spectrum 1D NMR Not Applicable Predicted 13C NMR Spectrum 1D NMR Not Applicable - Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source [M-H]- 197.29594 predictedDeepCCS 1.0 (2019) [M+H]+ 199.19135 predictedDeepCCS 1.0 (2019) [M+Na]+ 204.88434 predictedDeepCCS 1.0 (2019)
Drug created at June 23, 2017 20:46 / Updated at February 21, 2021 18:54