7-Aminodesacetoxycephalosporanic acid

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

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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

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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Mixture Products
NameIngredientsDosageRouteLabellerMarketing StartMarketing EndRegionImage
Thera Derm7-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)LotionTopicalManna Omni International Incorporated2017-10-31Not applicableUS flag
Unapproved/Other Products
NameIngredientsDosageRouteLabellerMarketing StartMarketing EndRegionImage
Thera Derm7-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)LotionTopicalManna Omni International Incorporated2017-10-31Not applicableUS flag

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
  1. 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]
ChemSpider
30911
RxNav
1990418
ChEBI
64984
ChEMBL
CHEMBL3182744
ZINC
ZINC000002169127

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount

Pharmacoeconomics

Manufacturers
Not Available
Packagers
Not Available
Dosage Forms
FormRouteStrength
LotionTopical
Prices
Not Available
Patents
Not Available

Properties

State
Not Available
Experimental Properties
Not Available
Predicted Properties
PropertyValueSource
Water Solubility15.8 mg/mLALOGPS
logP-1.1ALOGPS
logP-3Chemaxon
logS-1.1ALOGPS
pKa (Strongest Acidic)3.42Chemaxon
pKa (Strongest Basic)7.39Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count4Chemaxon
Hydrogen Donor Count2Chemaxon
Polar Surface Area83.63 Å2Chemaxon
Rotatable Bond Count1Chemaxon
Refractivity51.81 m3·mol-1Chemaxon
Polarizability20.47 Å3Chemaxon
Number of Rings2Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterNoChemaxon
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-0900000000-8bdd14abac9f8e2ea016
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-03ki-3910000000-4e82e8bdacf0d844a20d
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-0006-0900000000-e3660cf46951b9f8074f
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-03di-4900000000-8f57818e54bab8b3ac41
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-000x-2900000000-ae4a0f48d4d732e08b60
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-0006-9400000000-ccd7dde300d10171632b
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]-146.5454814
predicted
DarkChem Lite v0.1.0
[M-H]-146.5176814
predicted
DarkChem Lite v0.1.0
[M-H]-146.9999
predicted
DeepCCS 1.0 (2019)
[M+H]+146.4892814
predicted
DarkChem Lite v0.1.0
[M+H]+146.9720814
predicted
DarkChem Lite v0.1.0
[M+H]+149.39546
predicted
DeepCCS 1.0 (2019)
[M+Na]+146.7581814
predicted
DarkChem Lite v0.1.0
[M+Na]+146.5823814
predicted
DarkChem Lite v0.1.0
[M+Na]+155.31883
predicted
DeepCCS 1.0 (2019)

Drug created at June 21, 2018 16:51 / Updated at June 12, 2020 16:53