Nicardipine hydrochloride (CED0003614)

Record Information

Version

1.0

Creation Date

2016-05-22 06:03:40 UTC

Update Date

2026-04-05 23:45:58 UTC

Accession Number

CHEM019376

Identification

Common Name

Nicardipine hydrochloride

Class

Small Molecule

Description

Nicardipine hydrochloride is an organoheterocyclic compound with the formula C26H30ClN3O6. Nicardipine hydrochloride belongs to the hydropyridines, a subclass of pyridines and derivatives within the organic compounds. With an average molecular weight of 515.99 g/mol, Nicardipine hydrochloride is a heavy molecule. This substance has been found in or released from one recorded source: electrical and electronic equipment, specifically antennas.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Value	Source
Cardene	Kegg
3-{2-[benzyl(methyl)amino]ethyl} 5-methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid hydrochloride	Generator
Antagonil	MeSH
Dagan	MeSH
ESP pharma brand OF nicardipine hydrochloride	MeSH
Lecibral	MeSH
Nicardipine la	MeSH
Nicardipine seid brand	MeSH
nicardipino Seid	MeSH
Seid brand OF nicardipine	MeSH
Syntex brand OF nicardipine hydrochloride	MeSH
Yamanouchi brand 1 OF nicardipine hydrochloride	MeSH
Cardene i.v.	MeSH
Flusemide	MeSH
Lincil	MeSH
Perdipine	MeSH
Ratiopharm brand OF nicardipine hydrochloride	MeSH
Roche brand OF nicardipine hydrochloride	MeSH
Solvay brand OF nicardipine hydrochloride	MeSH
UCB brand OF nicardipine hydrochloride	MeSH
Vasonase	MeSH
Cardene SR	MeSH
Hydrochloride, nicardipine	MeSH
LA, nicardipine	MeSH
Lucenfal	MeSH
Tedec meiji brand OF nicardipine hydrochloride	MeSH
Yamanouchi brand 2 OF nicardipine hydrochloride	MeSH
Yamanouchi brand 3 OF nicardipine hydrochloride	MeSH
Almirall brand OF nicardipine hydrochloride	MeSH
Farma lepori brand OF nicardipine hydrochloride	MeSH
Loxen	MeSH
Nicardipine	MeSH
nicardipino Ratiopharm	MeSH
Novartis brand OF nicardipine hydrochloride	MeSH
Ridene	MeSH

Chemical Formula

C₂₆H₃₀ClN₃O₆

Average Molecular Mass

515.986 g/mol

Monoisotopic Mass

515.182 g/mol

CAS Registry Number

54527-84-3

IUPAC Name

3-{2-[benzyl(methyl)amino]ethyl} 5-methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate hydrochloride

Traditional Name

nicardipine hydrochloride

SMILES

Cl.COC(=O)C1=C(C)NC(C)=C(C1C1=CC(=CC=C1)N(=O)=O)C(=O)OCCN(C)CC1=CC=CC=C1

InChI Identifier

InChI=1S/C26H29N3O6.ClH/c1-17-22(25(30)34-4)24(20-11-8-12-21(15-20)29(32)33)23(18(2)27-17)26(31)35-14-13-28(3)16-19-9-6-5-7-10-19;/h5-12,15,24,27H,13-14,16H2,1-4H3;1H

InChI Key

AIKVCUNQWYTVTO-UHFFFAOYSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as 4,5-disubstituted 2-deoxystreptamines. These are 2-deoxystreptamine aminoglycosides that are glycosidically linked to a pyranose of furanose unit at the C4- and C5-positions.

Kingdom

Organic compounds

Super Class

Organic oxygen compounds

Class

Organooxygen compounds

Sub Class

Carbohydrates and carbohydrate conjugates

Direct Parent

4,5-disubstituted 2-deoxystreptamines

Alternative Parents

Substituents

4,5-disubstituted 2-deoxystreptamine
Disaccharide
Glycosyl compound
O-glycosyl compound
Aminocyclitol or derivatives
Cyclohexanol
Cyclohexylamine
Sulfuric acid
Cyclitol or derivatives
Oxane
Cyclic alcohol
Tetrahydrofuran
Organic sulfuric acid or derivatives
Secondary alcohol
1,2-aminoalcohol
Acetal
Organoheterocyclic compound
Oxacycle
Alcohol
Primary aliphatic amine
Hydrocarbon derivative
Organic oxide
Organopnictogen compound
Organic nitrogen compound
Amine
Organonitrogen compound
Primary amine
Primary alcohol
Aliphatic heteromonocyclic compound

Molecular Framework

Aliphatic heteromonocyclic compounds

External Descriptors

aminoglycoside sulfate salt (CHEBI:53637 )

Biological Properties

Status

Detected and Not Quantified

Origin

Not Available

Cellular Locations

Not Available

Biofluid Locations

Not Available

Tissue Locations

Not Available

Applications

Not Available

Biological Roles

Not Available

Chemical Roles

Not Available

Organoleptic Effects

Not Available

Physical Properties

State

Not Available

Appearance

Not Available

Experimental Properties

Property	Value
Melting Point	Not Available
Boiling Point	Not Available
Solubility	Not Available

Predicted Properties

Property	Value	Source
Water Solubility	0.0025 g/L	ALOGPS
logP	4.34	ALOGPS
logP	3.56	ChemAxon
logS	-5.3	ALOGPS
pKa (Strongest Basic)	8.18	ChemAxon
Physiological Charge	1	ChemAxon
Hydrogen Acceptor Count	6	ChemAxon
Hydrogen Donor Count	1	ChemAxon
Polar Surface Area	113.69 Å²	ChemAxon
Rotatable Bond Count	11	ChemAxon
Refractivity	134.8 m³·mol⁻¹	ChemAxon
Polarizability	50.5 Å³	ChemAxon
Number of Rings	3	ChemAxon
Bioavailability	No	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	Yes	ChemAxon

Spectra

Spectrum Type	Description	Splash Key	Deposition Date	View
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-014i-0000090000-d5dbf50a16f433941290	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-014i-0000090000-d5dbf50a16f433941290	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-014i-0000090000-d5dbf50a16f433941290	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-03di-0000090000-de4d5f16b248c9c8d674	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-03di-0000090000-de4d5f16b248c9c8d674	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-03di-0000090000-de4d5f16b248c9c8d674	Not Available	View Spectrum

Toxicity Profile

Mechanism of Toxicity

Not Available

Carcinogenicity (IARC Classification)

Not Available

Minimum Risk Level

Not Available

Symptoms

Not Available

Treatment

Not Available

Toxicity Values

Toxicity Value	Unit	Value Range	Organism	Dose Descriptor	Route of Exposure	Predicted or Experimental	Reference
238.0	Log mg/kg	[130:420]	Rat	LD50	oral	predicted	Not Available

Health Effects

Health Effect	Relationship	Direction	Reference

Exposure Sources

Source ID	Source	Sector	Reference
506	Antennas	Electrical & Electronic Equipment	Not Available
519	Electrodes	Electrical & Electronic Equipment	Not Available
545	Food Preservation	Food, food processing & cookware	Not Available
561	Perfumes Within Detergents And Soaps	Household cleaning & consumer products	Not Available
569	Tobacco Smoke Filters	Household cleaning & consumer products	Not Available
611	Anti Perspirants Or Body Deoderants	Personal care & cosmetics	Not Available
662	Yarns Or Threads	Textiles, leather & furnishings	Not Available
678	Nitrogenous Fertilisers	Agriculture & land management	Not Available
685	Ceramics	Building & Construction	Not Available
696	Nanotechnology	Industrial manufacturing & chemical processing	Not Available
724	Pencil Sharpener	Paper, pulp & fiber products	Not Available
729	Stamps	Paper, pulp & fiber products	Not Available
739	Inks	Paper, pulp & fiber products	Not Available
740	Paper	Paper, pulp & fiber products	Not Available
741	Pigment Pastes	Paper, pulp & fiber products	Not Available

Pathways

0 pathways

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets

Structure	Protein	UniProt ID	Organism	Relationship	Details
Click to view 3D structure	Adenosine receptor A3	P0DMS8	Humans	Predicted (SEA)	2.88042
Click to view 3D structure	ATP-dependent translocase ABCB1	P08183	Humans	Predicted (SEA)	1.79053
Click to view 3D structure	Voltage-dependent L-type calcium channel subunit alpha-1C	Q13936	Humans	Predicted (SEA)	0.0778492
Click to view 3D structure	Cytochrome P450 2C9	P11712	Humans	Predicted (SEA)	5.83869
Click to view 3D structure	Cytochrome P450 2C19	P33261	Humans	Predicted (SEA)	4.35956
Click to view 3D structure	Transient receptor potential cation channel subfamily A member 1	Q8BLA8	Mus musculus	Predicted (SEA)	0.0778492
Click to view 3D structure	Equilibrative nucleoside transporter 1	O54698	Rattus norvegicus	Predicted (SEA)	0.0778492
Click to view 3D structure	Cytochrome P450 3A4	P08684	Humans	Predicted (SEA)	27.2472
Click to view 3D structure	Cytochrome P450 2J2	P51589	Humans	Predicted (SEA)	0.155698
Click to view 3D structure	Alpha-1A adrenergic receptor	P35348	Humans	Predicted (SEA)	28.1814
Click to view 3D structure	Alpha-1B adrenergic receptor	P35368	Humans	Predicted (SEA)	18.606
Click to view 3D structure	Alpha-2A adrenergic receptor	P08913	Humans	Predicted (SEA)	19.0731
Click to view 3D structure	Alpha-2C adrenergic receptor	P18825	Humans	Predicted (SEA)	15.0249
Click to view 3D structure	Alpha-2B adrenergic receptor	P18089	Humans	Predicted (SEA)	12.923
Click to view 3D structure	Alpha-1D adrenergic receptor	P25100	Humans	Predicted (SEA)	15.1806
Click to view 3D structure	Broad substrate specificity ATP-binding cassette transporter ABCG2	Q9UNQ0	Humans	Predicted (SEA)	12.2223
Click to view 3D structure	Voltage-dependent L-type calcium channel subunit alpha-1C	P15381	Oryctolagus cuniculus	Predicted (SEA)	0.233548
Click to view 3D structure	Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1C	Q14123	Humans	Predicted (SEA)	1.94623
Click to view 3D structure	Adenosine receptor A1	P25099	Rattus norvegicus	Predicted (SEA)	44.5298
Click to view 3D structure	Voltage-dependent L-type calcium channel subunit alpha-1C	O35505	Cavia porcellus	Predicted (SEA)	0.311397
Click to view 3D structure	Bile salt export pump	O95342	Humans	Predicted (SEA)	2.95827
Click to view 3D structure	Nuclear receptor subfamily 1 group I member 2	O75469	Humans	Predicted (SEA)	3.81461
Click to view 3D structure	Voltage-dependent L-type calcium channel subunit alpha-1C	P22002	Rattus norvegicus	Predicted (SEA)	1.40129
Click to view 3D structure	Voltage-dependent L-type calcium channel subunit alpha-1D	P27732	Rattus norvegicus	Predicted (SEA)	0.233548
Click to view 3D structure	Cytochrome P450 2D6	P10635	Humans	Predicted (SEA)	119.576