7-Aminodesacetoxycephalosporanic acid
Star0
This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Identification
- Generic Name
- 7-Aminodesacetoxycephalosporanic acid
- DrugBank Accession Number
- DB14107
- Background
Not Available
- Type
- Small Molecule
- Groups
- Experimental
- Structure
- Weight
- Average: 214.24
Monoisotopic: 214.041213364 - Chemical Formula
- C8H10N2O3S
- Synonyms
- 3-methyl-7-amino-Δ3-cephem-4-carboxylic acid
- 3-methyl-7-aminoceph-3-em-4-carboxylic acid
- 7-ADCA
- 7-amino-3-methyl-3-cephem-4-carboxylic acid
- 7beta-aminodeacetoxycephalosporanic acid
- 7β-aminodeacetoxycephalosporanic acid
Pharmacology
- Indication
Not Available
Reduce drug development failure ratesBuild, train, & validate machine-learning modelswith evidence-based and structured datasets.Build, train, & validate predictive machine-learning models with structured datasets.- Contraindications & Blackbox Warnings
- 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.Not Available
- Food Interactions
- Not Available
Products
- Drug product information from 10+ global regionsOur datasets provide approved product information including:dosage, form, labeller, route of administration, and marketing period.Access drug product information from over 10 global regions.
- Mixture Products
Name Ingredients Dosage Route Labeller Marketing Start Marketing End Region Image Thera Derm 7-Aminodesacetoxycephalosporanic acid (450 mg/240mg) + Camphor leaf oil (6 mg/240mg) + Menthol (13 mg/240mg) + Methyl salicylate 2-ethylbutyrate (28 mg/240mg) + Peppermint oil (13 mg/240mg) Lotion Topical Manna Omni International Incorporated 2017-10-31 Not applicable US - Unapproved/Other Products
Name Ingredients Dosage Route Labeller Marketing Start Marketing End Region Image Thera Derm 7-Aminodesacetoxycephalosporanic acid (450 mg/240mg) + Camphor leaf oil (6 mg/240mg) + Menthol (13 mg/240mg) + Methyl salicylate 2-ethylbutyrate (28 mg/240mg) + Peppermint oil (13 mg/240mg) Lotion Topical Manna Omni International Incorporated 2017-10-31 Not applicable US
Categories
- Drug Categories
- Classification
- Not classified
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- ANM3MSM8TN
- CAS number
- 22252-43-3
- InChI Key
- NVIAYEIXYQCDAN-CLZZGJSISA-N
- InChI
- InChI=1S/C8H10N2O3S/c1-3-2-14-7-4(9)6(11)10(7)5(3)8(12)13/h4,7H,2,9H2,1H3,(H,12,13)/t4-,7-/m1/s1
- IUPAC Name
- (6R,7R)-7-amino-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
- SMILES
- [H][C@]12SCC(C)=C(N1C(=O)[C@H]2N)C(O)=O
References
- General References
- El-Ghaiesh S, Monshi MM, Whitaker P, Jenkins R, Meng X, Farrell J, Elsheikh A, Peckham D, French N, Pirmohamed M, Park BK, Naisbitt DJ: Characterization of the antigen specificity of T-cell clones from piperacillin-hypersensitive patients with cystic fibrosis. J Pharmacol Exp Ther. 2012 Jun;341(3):597-610. doi: 10.1124/jpet.111.190900. Epub 2012 Feb 27. [Article]
- External Links
- ChemSpider
- 30911
- 1990418
- ChEBI
- 64984
- ChEMBL
- CHEMBL3182744
- ZINC
- ZINC000002169127
Clinical Trials
Pharmacoeconomics
- Manufacturers
- Not Available
- Packagers
- Not Available
- Dosage Forms
Form Route Strength Lotion Topical - Prices
- Not Available
- Patents
- Not Available
Properties
- State
- Not Available
- Experimental Properties
- Not Available
- Predicted Properties
Property Value Source Water Solubility 15.8 mg/mL ALOGPS logP -1.1 ALOGPS logP -3 Chemaxon logS -1.1 ALOGPS pKa (Strongest Acidic) 3.42 Chemaxon pKa (Strongest Basic) 7.39 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 4 Chemaxon Hydrogen Donor Count 2 Chemaxon Polar Surface Area 83.63 Å2 Chemaxon Rotatable Bond Count 1 Chemaxon Refractivity 51.81 m3·mol-1 Chemaxon Polarizability 20.47 Å3 Chemaxon Number of Rings 2 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter No 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 splash10-000i-0900000000-8bdd14abac9f8e2ea016 Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS splash10-03ki-3910000000-4e82e8bdacf0d844a20d Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS splash10-0006-0900000000-e3660cf46951b9f8074f Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS splash10-03di-4900000000-8f57818e54bab8b3ac41 Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS splash10-000x-2900000000-ae4a0f48d4d732e08b60 Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS splash10-0006-9400000000-ccd7dde300d10171632b 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]- 146.5454814 predictedDarkChem Lite v0.1.0 [M-H]- 146.5176814 predictedDarkChem Lite v0.1.0 [M-H]- 146.9999 predictedDeepCCS 1.0 (2019) [M+H]+ 146.4892814 predictedDarkChem Lite v0.1.0 [M+H]+ 146.9720814 predictedDarkChem Lite v0.1.0 [M+H]+ 149.39546 predictedDeepCCS 1.0 (2019) [M+Na]+ 146.7581814 predictedDarkChem Lite v0.1.0 [M+Na]+ 146.5823814 predictedDarkChem Lite v0.1.0 [M+Na]+ 155.31883 predictedDeepCCS 1.0 (2019)
Drug created at June 21, 2018 16:51 / Updated at June 12, 2020 16:53