Iprazochrome

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

Identification

Generic Name
Iprazochrome
DrugBank Accession Number
DB13541
Background

Not Available

Type
Small Molecule
Groups
Experimental
Structure
Weight
Average: 264.285
Monoisotopic: 264.122240391
Chemical Formula
C12H16N4O3
Synonyms
  • Iprazochrome
  • Iprazochromum
  • Iprazocromo

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
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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.
DrugInteraction
1,2-BenzodiazepineThe risk or severity of CNS depression can be increased when 1,2-Benzodiazepine is combined with Iprazochrome.
AcenocoumarolThe risk or severity of adverse effects can be increased when Iprazochrome is combined with Acenocoumarol.
AcetazolamideThe risk or severity of CNS depression can be increased when Acetazolamide is combined with Iprazochrome.
AcetophenazineThe risk or severity of CNS depression can be increased when Acetophenazine is combined with Iprazochrome.
AgomelatineThe risk or severity of CNS depression can be increased when Agomelatine is combined with Iprazochrome.
Food Interactions
Not Available

Categories

ATC Codes
N02CX03 — Iprazochrome
Drug Categories
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of organic compounds known as indoles and derivatives. These are organic compounds containing an indole, which is a bicyclic ring system made up of a six-membered benzene ring fused to a five-membered nitrogen-containing pyrrole ring.
Kingdom
Organic compounds
Super Class
Organoheterocyclic compounds
Class
Indoles and derivatives
Sub Class
Not Available
Direct Parent
Indoles and derivatives
Alternative Parents
Semicarbazones / N-alkylpyrrolidines / Vinylogous amides / Trialkylamines / Secondary alcohols / Organic carbonic acids and derivatives / Cyclic ketones / Enamines / Azacyclic compounds / Organopnictogen compounds
show 2 more
Substituents
Alcohol / Aliphatic heteropolycyclic compound / Amine / Azacycle / Carbonic acid derivative / Carbonyl group / Cyclic ketone / Enamine / Hydrocarbon derivative / Indole or derivatives
show 15 more
Molecular Framework
Aliphatic heteropolycyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
903A9K181P
CAS number
7248-21-7
InChI Key
XZKVIDLLLOUTSS-ZSOIEALJSA-N
InChI
InChI=1S/C12H16N4O3/c1-6(2)16-5-11(18)7-3-8(14-15-12(13)19)10(17)4-9(7)16/h3-4,6,11,18H,5H2,1-2H3,(H3,13,15,19)/b14-8-
IUPAC Name
{[(5Z)-3-hydroxy-6-oxo-1-(propan-2-yl)-2,3,5,6-tetrahydro-1H-indol-5-ylidene]amino}urea
SMILES
CC(C)N1CC(O)C2=C\C(=N\NC(N)=O)C(=O)C=C12

References

General References
Not Available
ChemSpider
4903581
RxNav
51486
ChEMBL
CHEMBL2104324
Wikipedia
Iprazochrome

Clinical Trials

Clinical Trials
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 Solubility1.42 mg/mLALOGPS
logP0.31ALOGPS
logP-0.45Chemaxon
logS-2.3ALOGPS
pKa (Strongest Acidic)11.64Chemaxon
pKa (Strongest Basic)2.12Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count5Chemaxon
Hydrogen Donor Count3Chemaxon
Polar Surface Area108.02 Å2Chemaxon
Rotatable Bond Count2Chemaxon
Refractivity71.32 m3·mol-1Chemaxon
Polarizability26.87 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 GC-MS Spectrum - GC-MSPredicted GC-MSsplash10-0006-6970000000-48425fcc481546ccf637
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSsplash10-014j-0090000000-ccae0879b5b71cb1bee9
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-0006-0910000000-a13a911ffd9bdb577520
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-0aor-0790000000-be0cc032c71311315f15
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-0umi-0980000000-fc8187b52a4aa3dd0a45
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-08g0-3920000000-20affe4fe1c5d69ee655
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-03di-2920000000-5481515f4149155356e1
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]-164.03816
predicted
DeepCCS 1.0 (2019)
[M+H]+166.39616
predicted
DeepCCS 1.0 (2019)
[M+Na]+172.48932
predicted
DeepCCS 1.0 (2019)

Drug created at June 23, 2017 20:43 / Updated at February 21, 2021 18:54