Structure & Deep Data of Nifedipine (C17H18N2O6)

Chemical Structure Description

A chemical structure of a molecule includes the arrangement of atoms and the chemical bonds that hold the atoms together. The nifedipine molecule contains a total of 44 bond(s). There are 26 non-H bond(s), 12 multiple bond(s), 6 rotatable bond(s), 6 double bond(s), 6 aromatic bond(s), 2 six-membered ring(s), 2 ester(s) (aliphatic), 1 secondary amine(s) (aliphatic), and 1 nitro group(s) (aromatic). Images of the chemical structure of nifedipine are given below:

The 2D chemical structure image of nifedipine is also called skeletal formula, which is the standard notation for organic molecules. The carbon atoms in the chemical structure of nifedipine are implied to be located at the corner(s) and hydrogen atoms attached to carbon atoms are not indicated – each carbon atom is considered to be associated with enough hydrogen atoms to provide the carbon atom with four bonds.

The 3D chemical structure image of nifedipine is based on the ball-and-stick model which displays both the three-dimensional position of the atoms and the bonds between them. The radius of the spheres is therefore smaller than the rod lengths in order to provide a clearer view of the atoms and bonds throughout the chemical structure model of nifedipine. Download structure data file (SDF/MOL) file of this compound.

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Additional Information for Identifying Nifedipine Molecule

• SMILES (Simplified Molecular-Input Line-Entry System) string of nifedipine

  The SMILES string of nifedipine is COC(=O)C1=C(C)NC(=C(C1c2ccccc2[N+]([O-])=O)C(=O)OC)C, which can be can be imported by most molecule editors for conversion back into two-dimensional drawings or three-dimensional models of the nifedipine.

• Structure Data File (SDF/MOL File) of nifedipine

  The structure data file (SDF/MOL File) of nifedipine is available for download in the SDF page of nifedipine, which provides the information about the atoms, bonds, connectivity and coordinates of nifedipine. The nifedipine structure data file can be imported to most of the cheminformatics software systems and applications.

• Chemical formula of nifedipine

  The molecular formula of nifedipine is available in chemical formula page of nifedipine, which identifies each constituent element by its chemical symbol and indicates the proportionate number of atoms of each element.

• Molecular weight of nifedipine

  The molecular weight of nifedipine is available in molecular weight page of nifedipine, which is calculated as the sum of the atomic weights of each constituent element multiplied by the number of atoms of that element in the molecular formula.

• Other names (synonyms) or registry numbers of nifedipine

  The nifedipine compound may be called differently depending on the various different situations of industrial applications. Below are the list of the other names (synonyms) of nifedipine including the various registry numbers, if available:

  • C-20502
  • EN300-120627
  • ZX-AS004531
  • Procardiareg
  • Adalatreg
  • Nifedipine|1,4-Dihydro-2,6-dimethyl-4-(2-nitrophenyl)-3,5-pyridinedicarboxylic acid dimethyl ester
  • 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(o-nitrophenyl)-, dimethyl ester (8CI)
  • 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(2-nitrophenyl)-, dimethyl ester (9CI)
  • 1,?4-?DIHYDRO-?2,?6-?DIMETHYL-?4-?(2-?NITROPHENYL)-?3,?5-?DIMETHYL ESTER-?3,?5-?PYRIDINEDICARBOXYLIC ACID
  • Nifedipine, pharmaceutical secondary standard; traceable to USP, PhEur and BP

  • Dimethyl 2,6-dimethyl-4-(2-nitrophenyl)-1,4-dihydro-3,5-pyridinedicarboxylate #
  • Dimethyl 2,6-dimethyl-4-(2-nitrophenyl)-1,4-dihydro-3,5-pyridinedicarboxylate
  • Dimethyl (4-(2-nitrophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate)
  • 1,4-Dihydro-2,6-dimethyl-4-(2-nitrophenyl)-3,5-pyridine-dicarboxylic acid dimethyl ester
  • 1,4-Dihydro-2,6-dimethyl-4-(2- nitrophenyl)-3,5-pyridine- dicarboxylic acid dimethyl ester
  • 2,6-Dimethyl-3,5-dicarbomethoxy-4-(2-nitrophenyl)-1,4-dihydropyridine
  • Nifedipine, United States Pharmacopeia (USP) Reference Standard
  • Nifedipine, European Pharmacopoeia (EP) Reference Standard
  • F2173-0802
  • Z90350374

  • BRD-K96354014-001-01-3
  • SR-01000075332-1
  • Q-201471
  • AB00052051-05
  • K-6191
  • SBI-0050796.P004
  • Nu-nifedipine-PA - Prolonged Action Tab
  • Nifedipine-Supplied by Selleck Chemicals
  • RTC-063561
  • Nifedipine [USAN:USP:INN:BAN:JAN]

  • CCG-100758
  • Nifedipine, >=98% (HPLC), powder
  • CCG-40115
  • BDBM50101817
  • BDBM50000778
  • ANW-42547
  • HY-B0284
  • Pharmakon1600-01500431
  • Nifedipine Pa -10 - Srt 10mg
  • HMS3651M19

  • HMS3393O03
  • HMS3267G06
  • HMS3262D19
  • HMS2233B22
  • HMS2095M07
  • Nifedipine Pa-20 - Srt 20mg
  • Nifedipine Pa 20 - Srt 20mg
  • Nifedipine Pa 10 - Srt 10mg
  • Mylan-nifedipine Extended Release
  • BAY A1040

  • Nifedipine (JP17/USP/INN)
  • Nifedipine (JP15/USP/INN)
  • GTPL2514
  • Gen Nifedipine Cap 10mg USP
  • Adalat P.A.20 -srt 20mg
  • Adalat P.A.10 -srt 10mg
  • D009543
  • Apo-nifed Pa - Tab 10mg
  • Apo-nifed Pa - Srt 20mg
  • Adalat Pa 10 Tab 10mg

  • Nifedipine Extended-release
  • Nifedipine Extended Release
  • Nifedipine-10 Cap 10mg
  • Adalat XL - Srt 60mg
  • Adalat XL - Srt 30mg
  • Adalat XL - Srt 20mg
  • Taro-nifedipine Cap 10mg
  • Nifedipine, 98% 5g
  • Nifedipine Capsules 10mg
  • Nifedipine 10mg - Cap

  • Novo-nifedin Cap 10mg
  • Nifedipine 5mg - Cap
  • Adalat XL Tab 60mg
  • Adalat XL Tab 30mg
  • Adalat - Cap 10mg
  • Novo-nifedin Cap 5mg
  • nchembio.95-comp13
  • Nu-nifed Cap 10mg
  • Adalat Pa 20
  • PMS-nifedipine ER

  • methyl 5-(methoxycarbonyl)-2,6-dimethyl-4-(2-nitrophenyl)-1,4-dihydropyridine- 3-carboxylate
  • Adalat Cap 10mg
  • Adcock Ingram Brand of Nifedipine
  • Adalat, Procardia
  • Adalat Cap 5mg
  • Nu-nifedipine-PA
  • Novo-nifedin XL
  • AWD Pharma Brand of Nifedipine
  • Nifedipine ER
  • Nifediac Cc

  • PMS-nifedipine
  • Nifedicalxl XL
  • Anifed, Afeditab CR, Nifediac, Nifedical, Procardia, Nifedipine
  • NifedicalXL
  • Dom-nifedipine
  • Aldipine
  • Monohydrochloride, Nifedipine
  • nifedipin
  • fedipin
  • Bay1040

  • Nifedipine Monohydrochloride
  • Pfizer Brand of Nifedipine
  • Orion Brand of Nifedipine
  • KRKA Brand of Nifedipine
  • Bayer Brand of Nifedipine
  • Nifedipine Pfizer Brand
  • Nifedipine Orion Brand
  • Nifedipine KRKA Brand
  • Nifedipine Bayer Brand
  • 101554-38-5

  • 101539-70-2
  • Dimethyl 4-(2-nitrophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
  • 4-(2'-Nitrophenyl)-2,6-dimethyl-1,4-dihydropyridin-3,5-dicarbonsaeuredimethylester [German]
  • 4-(2'-Nitrophenyl)-2,6-dimethyl-1,4-dihydropyridin-3,5-dicarbonsaeuredimethylester
  • 4-(2-Nitrophenyl)-2,6-dimethyl-3,5-dicarbomethoxy-1,4-dihydropyridine
  • Nifedipine GTIS
  • Vascard
  • I06-1286
  • I06-0051
  • L001054

  • N 7634
  • Dimethyl 1,4-dihydro-2,6-dimethyl-4-(2-nitrophenyl)-3,5-pyridinedicarboxylate
  • D00437
  • BIM-0050796.0001
  • 4-(2'-Nitrophenyl)-2,6-dimethyl-3,5-dicarbomethoxy-1,4-dihydropyridine
  • N0528
  • 60299-11-8 (mono-hydrochloride)
  • MFCD00057326
  • Dimethyl 1,4-dihydro-2,6-dimethyl-4-(o-nitrophenyl)-3,5-pyridinedicarboxylate
  • Dimethyl 1,4-dihydro-2,6-dimethyl-4-(2'-nitrophenyl)-3,5-pyridinedicarboxylate

  • KB-1712P
  • Nifedipine [USAN:BAN:INN:JAN]
  • HMS2091H20
  • HMS2089H11
  • HMS2051O03
  • HMS1989F13
  • HMS1920P19
  • HMS1791F13
  • HMS1568M07
  • HMS1361F13

  • HMS500P15
  • BAY-a 1040
  • CAS-21829-25-4
  • SPECTRUM1500431
  • Bio-0733
  • BIDD:GT0442
  • ARONIS24171
  • BIDD:PXR0034
  • I9ZF7L6G2L
  • Lopac-N-7634

  • BAY 1040
  • C17H18N2O6
  • Tocris-1075
  • Afeditab CR (TN)
  • Adalat (TN)
  • Bay-1040
  • BAYa1040
  • Procardia (TN)
  • Adalat XL
  • Nifedipino [INN-Spanish]

  • Nifedipine Retard
  • Adalate LP
  • Nifelat Q
  • Coracten XL
  • Tensipine MR
  • Nifedirex LP
  • Nifedipinum [INN-Latin]
  • Fortipine LA
  • Slofedipine XL
  • N1fedilat

  • Aprical long
  • Nifar
  • Dilcor
  • Nifipen
  • Nifidine
  • Nifelate
  • Nifedine
  • Nifedepat
  • Nifebene
  • Nifdemin

  • Nicardia
  • Infedipin
  • Emaberin
  • Alpha-Nifedipine Retard
  • Niphedipine
  • Adalat GITS 30
  • 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(2-nitrophenyl)-, dimethyl ester
  • Adalat 20
  • Adalat 10
  • 1,4-Dihydro-2,6-dimethyl-4-(2-nitrophenyl)-3,5-pyridinedicarboxylic acid dimethyl ester

  • Adalat 5
  • Adalat GITS
  • Adalat PA
  • Adalat LP
  • Adalat FT
  • Adalat CR
  • Fenamon SR
  • Alonix S
  • Adipine XL
  • Nifensar XL

  • Nifedipine-GTIS
  • Apo-Nifed
  • Nifedical XL
  • Ecodipin E
  • Chronadalate LP
  • Adalat Crono
  • Fedcor Retard
  • BAY A 1040
  • Adalat Retard
  • Alat

  • Depin
  • Coral
  • Glopir
  • Fedcor
  • Camont
  • Anpine
  • Anifed
  • Alonix
  • Nificard
  • Nifelat

  • Nifelan
  • Nifedipino
  • Nifedin
  • Nifedicor
  • Nedipin
  • Myogard
  • Megalat
  • Macorel
  • Korinfar
  • Hadipin

  • Fenigidin
  • Fenamon
  • Ecodipin
  • Ecodipi
  • Duranifin
  • Dipinkor
  • dimethyl 2,6-dimethyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
  • Dilafed
  • Corynphar
  • Corotrend

  • Cordipine
  • Cordilan
  • Cordicant
  • Cordalat
  • Cordaflex
  • Cordafen
  • Cardionorm
  • Cardilat
  • Cardifen
  • Calcilat

  • Calcigard
  • Calcibloc
  • Bonacid
  • Aprical
  • Angipec
  • Alfadal
  • Aldipin
  • Adapress
  • Nifedipinum
  • Dignokonstant

  • Chronadalate
  • Adalat LA
  • Adalat Oros
  • Orix
  • Zenusin
  • Sepamit
  • Pidilat
  • Nifecor
  • Tibricol
  • Nifedipres

  • Nifedical
  • Nifediac
  • Nifecard
  • Nifangin
  • Kordafen
  • Introcar
  • Hexadilat
  • Afeditab
  • Bay-a-1040
  • Afeditab CR

  • Coracten
  • Adapine
  • Adalate
  • Fenihidin
  • Oxcord
  • Citilat
  • Fenihidine
  • Corinfar
  • Cordipin
  • Adalat CC

  • Procardia XL
  • Procardia
  • Adalat
  • 21829-25-4
  • nifedipine

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Nifedipine Identification Summary Frequently Asked Questions (FAQs)

What’s the chemical formula of nifedipine?
C17H18N2O6
How many atoms and what are the elements included the nifedipine molecule?
43 atom(s) - 18 Hydrogen atom(s), 17 Carbon atom(s), 2 Nitrogen atom(s), and 6 Oxygen atom(s)
How many chemical bonds and what kind of bonds are included the nifedipine structure?
44 bond(s) - 26 non-H bond(s), 12 multiple bond(s), 6 rotatable bond(s), 6 double bond(s), 6 aromatic bond(s), 2 six-membered ring(s), 2 ester(s) (aliphatic), 1 secondary amine(s) (aliphatic), and 1 nitro group(s) (aromatic)
What’s the nifedipine’s molecular weight?
346.33462 g/mol
What’s the SMILES code of nifedipine?
COC(=O)C1=C(C)NC(=C(C1c2ccccc2[N+]([O-])=O)C(=O)OC)C
What’s the InChI string of nifedipine?
InChI=1S/C17H18N2O6/c1-9-13(16(20)24-3)15(14(10(2)18-9)17(21)25-4)11-7-5-6-8-12(11)19(22)23/h5-8,15,18H,1-4H3
What’s the InChIKey code of nifedipine?
HYIMSNHJOBLJNT-UHFFFAOYSA-N

3296 The contents of this page can freely be shared if cited as follows:
Source: Chemical Compounds Deep Data Source (CCDDS; https://www.molinstincts.com) based on 41 patented QSQN and QN technology
commercialized into Mol-Instincts database and ChemRTP, ChemEssen, Inc (2024).