NAV

Cronidipine

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

Identification

Generic Name
Cronidipine
DrugBank Accession Number
DB09233
Background

Cronidipine is a calcium channel blocker.

Type
Small Molecule
Groups
Experimental
Structure
3D
Similar Structures
Weight
Average: 598.05
Monoisotopic: 597.1877927
Chemical Formula
C30H32ClN3O8
Synonyms
  • Cronidipine
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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
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

Categories

Drug Categories
Not Available
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of organic compounds known as phenylpiperidines. These are compounds containing a phenylpiperidine skeleton, which consists of a piperidine bound to a phenyl group.
Kingdom
Organic compounds
Super Class
Organoheterocyclic compounds
Class
Piperidines
Sub Class
Phenylpiperidines
Direct Parent
Phenylpiperidines
Alternative Parents
Azaspirodecane derivatives / Dihydropyridinecarboxylic acids and derivatives / Nitrobenzenes / Dialkylarylamines / Nitroaromatic compounds / Aniline and substituted anilines / Chlorobenzenes / Ketals / Aryl chlorides / Dicarboxylic acids and derivatives
show 17 more
Substituents
Acetal / Allyl-type 1,3-dipolar organic compound / Alpha,beta-unsaturated carboxylic ester / Amine / Amino acid or derivatives / Aniline or substituted anilines / Aromatic heteropolycyclic compound / Aryl chloride / Aryl halide / Azacycle
show 42 more
Molecular Framework
Aromatic heteropolycyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
7TXJ9MY5V9
CAS number
113759-50-5
InChI Key
CNIJVNPIIHWRRP-UHFFFAOYSA-N
InChI
InChI=1S/C30H32ClN3O8/c1-18-25(28(35)39-3)27(20-5-4-6-23(15-20)34(37)38)26(19(2)32-18)29(36)40-16-24-17-41-30(42-24)11-13-33(14-12-30)22-9-7-21(31)8-10-22/h4-10,15,24,27,32H,11-14,16-17H2,1-3H3
IUPAC Name
3-[8-(4-chlorophenyl)-1,4-dioxa-8-azaspiro[4.5]decan-2-yl]methyl 5-methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
SMILES
[H]N1C(C)=C(C(C2=CC(=CC=C2)[N+]([O-])=O)C(C(=O)OCC2COC3(CCN(CC3)C3=CC=C(Cl)C=C3)O2)=C1C)C(=O)OC

References

General References
Not Available
PubChem Compound
65918
PubChem Substance
310265137
ChemSpider
59326

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount

Pharmacoeconomics

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

Properties

State
Solid
Experimental Properties
Not Available
Predicted Properties
PropertyValueSource
Water Solubility0.00397 mg/mLALOGPS
logP4.72ALOGPS
logP5.05Chemaxon
logS-5.2ALOGPS
pKa (Strongest Acidic)19.47Chemaxon
pKa (Strongest Basic)3.69Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count8Chemaxon
Hydrogen Donor Count1Chemaxon
Polar Surface Area129.47 Å2Chemaxon
Rotatable Bond Count9Chemaxon
Refractivity156.05 m3·mol-1Chemaxon
Polarizability60.78 Å3Chemaxon
Number of Rings5Chemaxon
Bioavailability0Chemaxon
Rule of FiveNoChemaxon
Ghose FilterNoChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleYesChemaxon
Predicted ADMET Features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
Not Available
Chromatographic Properties
Collision Cross Sections (CCS)
AdductCCS Value (Å2)Source typeSource
[M-H]-228.6522
predicted
DeepCCS 1.0 (2019)
[M+H]+230.4771
predicted
DeepCCS 1.0 (2019)
[M+Na]+236.08293
predicted
DeepCCS 1.0 (2019)

Drug created at October 23, 2015 16:23 / Updated at February 21, 2021 18:52