NAV

Iocarmic acid

This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.

Identification

Generic Name
Iocarmic acid
DrugBank Accession Number
DB13755
Background

Not Available

Type
Small Molecule
Groups
Experimental
Structure
3D
Similar Structures
Weight
Average: 1253.871
Monoisotopic: 1253.55493
Chemical Formula
C24H20I6N4O8
Synonyms
  • Acido iocarmico
  • Acidum iocarmicum
  • Iocarmic acid
External IDs
  • MP 2032
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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
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Not Available

Interactions

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Not Available
Food Interactions
Not Available

Products

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Product Ingredients
IngredientUNIICASInChI Key
Iocarmate meglumine2303MD51O154605-45-7HOBKVSAGFBYKRQ-VRWDCWMNSA-N
International/Other Brands
Dimeray

Categories

ATC Codes
V08AA08 — Iocarmic acid
Drug Categories
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of organic compounds known as acylaminobenzoic acid and derivatives. These are derivatives of amino benzoic acid derivatives where the amine group is N-acylated.
Kingdom
Organic compounds
Super Class
Benzenoids
Class
Benzene and substituted derivatives
Sub Class
Benzoic acids and derivatives
Direct Parent
Acylaminobenzoic acid and derivatives
Alternative Parents
2-halobenzoic acids / 4-halobenzoic acids / Halobenzoic acids / Anilides / Benzamides / Benzoic acids / 1-carboxy-2-haloaromatic compounds / N-arylamides / Benzoyl derivatives / Iodobenzenes
show 10 more
Substituents
1-carboxy-2-haloaromatic compound / 2-halobenzoic acid / 2-halobenzoic acid or derivatives / 4-halobenzoic acid / 4-halobenzoic acid or derivatives / Acylaminobenzoic acid or derivatives / Anilide / Aromatic homomonocyclic compound / Aryl halide / Aryl iodide
show 26 more
Molecular Framework
Aromatic homomonocyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
82PB24K6TZ
CAS number
10397-75-8
InChI Key
SMQYOVYWPWASGU-UHFFFAOYSA-N
InChI
InChI=1S/C24H20I6N4O8/c1-31-21(37)9-13(25)11(23(39)40)17(29)19(15(9)27)33-7(35)5-3-4-6-8(36)34-20-16(28)10(22(38)32-2)14(26)12(18(20)30)24(41)42/h3-6H2,1-2H3,(H,31,37)(H,32,38)(H,33,35)(H,34,36)(H,39,40)(H,41,42)
IUPAC Name
3-(5-{[3-carboxy-2,4,6-triiodo-5-(methylcarbamoyl)phenyl]carbamoyl}pentanamido)-2,4,6-triiodo-5-(methylcarbamoyl)benzoic acid
SMILES
CNC(=O)C1=C(I)C(C(O)=O)=C(I)C(NC(=O)CCCCC(=O)NC2=C(I)C(C(O)=O)=C(I)C(C(=O)NC)=C2I)=C1I

References

General References
Not Available
ChemSpider
23564
ChEBI
31702
ChEMBL
CHEMBL2106389
Wikipedia
Iocarmic_acid

Clinical Trials

Clinical Trials Learn More" title="About Clinical Trials" id="clinical-trials-info" class="drug-info-popup" href="javascript:void(0);">
PhaseStatusPurposeConditionsCount

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 Solubility0.00907 mg/mLALOGPS
logP2.21ALOGPS
logP6.4Chemaxon
logS-5.1ALOGPS
pKa (Strongest Acidic)1.83Chemaxon
pKa (Strongest Basic)-1.4Chemaxon
Physiological Charge-2Chemaxon
Hydrogen Acceptor Count8Chemaxon
Hydrogen Donor Count6Chemaxon
Polar Surface Area191 Å2Chemaxon
Rotatable Bond Count11Chemaxon
Refractivity211.93 m3·mol-1Chemaxon
Polarizability82.3 Å3Chemaxon
Number of Rings2Chemaxon
Bioavailability0Chemaxon
Rule of FiveNoChemaxon
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/MSsplash10-0udi-0090000000-a78358112478f9e2b55d
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-0ue9-0090000000-5ce01ee14d537726241b
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-0ugi-0090002000-29cd6f97f42e5c4946e1
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-0f92-0960002000-62f89b5454ea7737b812
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-0g4i-0230059001-b1cb4f38e68a4d2e1307
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-0fb9-0720009000-48d6200fcef12cce08bf
Chromatographic Properties
Collision Cross Sections (CCS)
AdductCCS Value (Å2)Source typeSource
[M-H]-282.0468
predicted
DeepCCS 1.0 (2019)
[M+H]+284.3881
predicted
DeepCCS 1.0 (2019)
[M+Na]+290.12845
predicted
DeepCCS 1.0 (2019)

Drug created at June 23, 2017 20:48 / Updated at February 21, 2021 18:54