Chemical substance record

Nitrendipine

39562-70-4C₁₈H₂₀N₂O₆360.366 g/mol

Organic/Inorganic Small MoleculeChEBI source record

A dihydropyridine that is 1,4-dihydropyridine substituted by methyl groups at positions 2 and 6, a 3-nitrophenyl group at position 4, a ethoxycarbonyl group at position 3 and a methoxycarbonyl group at position 5. It is a calcium-channel blocker used in the treatment of hypertension. — ChEBI

Safety references

Safety documents & references

Supplier matching matters

Find the safety document for your specific supplier, product number and grade.

Find a product-specific SDS

Search SDS PDFs Sigma-Aldrich Thermo Fisher

Safety guides and government classification records are not a manufacturer’s SDS. Match supplier, product number, concentration, physical form, region and revision before using a document.

Identity & molecular properties

Source-linked values

CAS number	39562-70-4	ChEBI ↗
Molecular formula	C₁₈H₂₀N₂O₆	ChEBI ↗
Molar mass	360.366 g/mol	ChEBI ↗
Monoisotopic mass	360.13214 Da	ChEBI ↗
Formal charge	0	ChEBI ↗
ChEBI identifier	CHEBI:7582	ChEBI ↗

Cross-source molecular data

PubChem

Molar mass	360.4 g/mol	PubChem ↗
Exact mass	360.13213636 Da	PubChem ↗
Computed XLogP	2.9	PubChem ↗
Topological polar surface area (Å²)	110	PubChem ↗
H-bond donors	1	PubChem ↗
H-bond acceptors	7	PubChem ↗
Rotatable bonds	6	PubChem ↗

PubChem computed values are shown separately from the ChEBI record. An exact InChIKey match was used to connect the records. Molecular descriptors do not describe a supplied product’s purity, particle size or performance.

Names & structural identifiers

Copy any identifier

Source preferred name

nitrendipine

IUPAC name

ethyl methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate

InChIKey

PVHUJELLJLJGLN-UHFFFAOYSA-N

SMILES

CCOC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1cccc([N+](=O)[O-])c1

InChI

InChI=1S/C18H20N2O6/c1-5-26-18(22)15-11(3)19-10(2)14(17(21)25-4)16(15)12-7-6-8-13(9-12)20(23)24/h6-9,16,19H,5H2,1-4H3

Names & synonyms

BayotensinBaypressBylotensinDeitenethyl methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylateNidrelnitrendipinonitrendipinum

Names are supplied by ChEBI. Trade names and related synonyms may describe a broader product context.

Classification & relationships

ChEBI ontology

dicarboxylic acids and O-substituted derivativesChEBI parent class · 131927 ↗ethyl esterChEBI parent class · 23990 ↗methyl esterChEBI parent class · 25248 ↗C-nitro compoundChEBI parent class · 35716 ↗dihydropyridineChEBI parent class · 50075 ↗diesterChEBI parent class · 51307 ↗

ester organic heterocyclic compound organic molecular entity

Roles recorded in ChEBI

geroprotectorcardiovascular drugvasodilator agentantihypertensive agentcalcium channel blocker

Database role annotations describe reported biological or chemical roles; they are not product approvals or recommendations for use.

Mass ↔ amount of substance

Calculated from sourced mass

Amount

Input unit

Equivalent amount

0.00277496 mol

Uses 360.366 g/mol from ChEBI. Assumes the substance described by this record; no purity or concentration correction is applied.

Elemental composition

Theoretical mass fractions

C

Carbon · 18 atoms

59.99%

O

Oxygen · 6 atoms

26.64%

N

Nitrogen · 2 atoms

7.77%

H

Hydrogen · 20 atoms

5.59%

Calculated theoretical mass fractions from the reported formula and PubChem periodic-table atomic masses. These are not assay or purity results.

Research & patent references

Selected source associations

Nitrendipine and metabolic balance. ↗Journal of cardiovascular pharmacology · 1991 · PMID 1725797

Metabolic effects of nitrendipine. ↗Clinical therapeutics · 1991 Nov-Dec · PMID 1790544

CN101416954 · Patent reference ↗Patent cross-reference supplied by ChEBI. Association alone does not establish claim scope.

DE2117571 · Patent reference ↗Patent cross-reference supplied by ChEBI. Association alone does not establish claim scope.

US3799934 · Patent reference ↗Patent cross-reference supplied by ChEBI. Association alone does not establish claim scope.

Search PubMed Google Scholar

Sources & record history

Checked 27 Sep 2026

Identity, formula, mass, synonyms & ontologyEMBL-EBI ChEBI · CHEBI:7582

Release 255, 9 September 2026. ChEBI three-star (manually annotated) source entry. View original record ↗ · CC BY 4.0

Additional molecular descriptorsNCBI PubChem · CID 4507 · retrieved 2026-09-27

PubCAS formats source data, connects references and computes explicitly labelled conversions. CAS cross-references are supplied by ChEBI; they do not constitute CAS verification or endorsement.

How this record was assembled Suggest a correction