Home Structure Tamoxifen

Structure of Tamoxifen (C26H29NO)

Identification of Tamoxifen Chemical Compound

2D chemical structure image of tamoxifen
Chemical Formula C26H29NO
Molecular Weight 371.51456 g/mol
IUPAC Name (2-{4-[(1Z)-1,2-diphenylbut-1-en-1-yl]phenoxy}ethyl)dimethylamine
SMILES String CCC(=C(c1ccccc1)c2ccc(OCCN(C)C)cc2)c3ccccc3
InChI InChI=1S/C26H29NO/c1-4-25(21-11-7-5-8-12-21)26(22-13-9-6-10-14-22)23-15-17-24(18-16-23)28-20-19-27(2)3/h5-18H,4,19-20H2,1-3H3/b26-25-
InChIKey NKANXQFJJICGDU-QPLCGJKRSA-N

Chemical Structure Description

A chemical structure of a molecule includes the arrangement of atoms and the chemical bonds that hold the atoms together. The tamoxifen molecule contains a total of 59 bond(s) There are 30 non-H bond(s), 19 multiple bond(s), 8 rotatable bond(s), 1 double bond(s), 18 aromatic bond(s), 3 six-membered ring(s), 1 tertiary amine(s) (aliphatic) and 1 ether(s) (aromatic).
Images of the chemical structure of tamoxifen are given below:

2D chemical structure image of tamoxifen
2-dimensional (2D) chemical structure image of tamoxifen
3D chemical structure image of tamoxifen
3-dimensional (3D) chemical structure image of tamoxifen

The 2D chemical structure image of tamoxifen is also called skeletal formula, which is the standard notation for organic molecules. The carbon atoms in the chemical structure of tamoxifen 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 tamoxifen 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 tamoxifen.


An Interactive 3-dimensional (3D) Visualization of Tamoxifen

For a better understanding of the chemical structure, an interactive 3D visualization of tamoxifen is provided here.

The tamoxifen molecule shown in the visualization screen can be rotated interactively by keep clicking and moving the mouse button. Mouse wheel zoom is available as well – the size of the tamoxifen molecule can be increased or decreased by scrolling the mouse wheel.

The information of the atoms, bonds, connectivity and coordinates included in the chemical structure of tamoxifen can easily be identified by this visualization. By right-clicking the visualization screen, various other options are available including the visualization of van der Waals surface and exporting to a image file.





More Properties of Tamoxifen

For physicochemical, thermodynamic, transport, spectra, and other property data & information, the followings are available from “Mol-Instincts”, a chemical database based on quantum chemical computations:







Additional Information for Identifying Tamoxifen Molecule

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

    The SMILES string of tamoxifen is CCC(=C(c1ccccc1)c2ccc(OCCN(C)C)cc2)c3ccccc3, which can be can be imported by most molecule editors for conversion back into two-dimensional drawings or three-dimensional models of the tamoxifen.

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

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

  • Chemical formula of tamoxifen

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

  • Molecular weight of tamoxifen

    The molecular weight of tamoxifen is available in molecular weight page of tamoxifen, 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 tamoxifen

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

    • Soltamoxreg
    • Nolvadexreg
    • (Z)-1-(p-Dimethylaminoethoxyphenyl)-1,2-diphenyl-1-butene, trans-2-[4-(1,2-Diphenyl-1-butenyl)phenoxy]-N,N-dimethylethylamine
    • 2-[4-[(Z)-1,2-di(phenyl)but-1-enyl]phenoxy]-N,N-dimethylethanamine
    • (Z)-2-(4-(1,2-diphenylbut-1-en-1-yl)phenoxy)-N,N-dimethylethanamine
    • 2-[4-[1,2-di(phenyl)but-1-enyl]phenoxy]-n,n-dimethylethanamine
    • (Z)-2-(para-(1,2-Diphenyl-1-butenyl)phenoxy)-N,N-dimethylamine
    • 1-[4-(2-Dimethylaminoethoxy)phenyl]-1,2-diphenyl-1-butene
    • Tamoxifen, certified reference material, TraceCERT(R)
    • A801229
    • AB00053547-18
    • AB00053547-17
    • AB00053547-16
    • B5965
    • SBI-0051170.P004
    • CCG-205277
    • 094ZI81Y45
    • HY-13757A
    • 2060AH
    • HMS3403J11
    • HMS3261D09
    • HMS2232C12
    • BDBM20607
    • Tamoxifen Drug Standard Solution
    • Ethanamine, 2-[4-[(1Z)-1,2-diphenyl-1-buten-1-yl]phenoxy]-N,N-dimethyl-
    • GTPL5384
    • GTPL1016
    • Tamoxifen, analytical standard
    • Tamone - (20 Mg)
    • Tamone - (10 Mg)
    • (Z)-2-[4-(1,2)-DIPHENYL-1-BUTENYL)-PHENOXY]-N,N-DIMETHYLETHANAMINE
    • Tamoxifen, >=99%
    • Penta-tamoxifen Tablets
    • Nolvadex-D Tab 20mg
    • nchembio.140-comp7
    • Apo-tamox Tab 20mg
    • Apo-tamox Tab 10mg
    • nchembio732-comp3
    • nchembio.76-comp1
    • Tamoplex Tab 20mg
    • Tamoplex Tab 10mg
    • Nolvadex Tab 10mg
    • Tamoxifene - 20
    • Tamoxifene - 10
    • Tamofen 20
    • Tamofen 10
    • Tamone Tab 20mg
    • Tamone Tab 10mg
    • [3H]-tamoxifen
    • Tamoxifen, 7
    • [3H]tamoxifen
    • tamoxifene citrate
    • Teva-tamoxifen
    • Dom-tamoxifen
    • Tadex
    • Mylan-tamoxifen
    • Bilem
    • Ebefen
    • Adopan
    • Adifen
    • Tomifen
    • Tecnotax
    • Tamtero
    • Tamoxilon
    • Tamifen
    • Novofen
    • Mammonex
    • Gynatam
    • Fenahex
    • Tamoneprin
    • Doctamoxifene
    • CAS-10540-29-1
    • Ethanamine, 2-[4-[(1Z)-1,2-diphenyl-1-butenyl]phenoxy]-N,N-dimethyl-
    • Ethanamine, 2-(4-((1Z)-1,2-diphenyl-1-butenyl)phenoxy)-N,N-dimethyl-
    • 2-[4-[(Z)-1,2-diphenylbut-1-enyl]phenoxy]-N,N-dimethyl-ethanamine
    • 1-p-.beta.-Dimethylamino-ethoxyphenyl-trans-1,2-diphenylbut-1-ene
    • (Z)-2-[p-(1,2-Diphenyl-1-butenyl)phenoxy]-N,N-dimethylethylamine
    • (Z)-2-(4-(1,2-diphenylbut-1-enyl)phenoxy)-N,N-dimethylethanamine
    • TAMOXIFEN (TAMOXIFEN CITRATE (54965-24-1))
    • W-108788
    • BRD-K93754473-048-05-3
    • BRD-K93754473-001-02-9
    • L024126
    • Ethylamine, N,N-dimethyl-2-(p-(1,2-diphenyl-1-butenyl)phenoxy)-, (Z)-
    • D08559
    • 2-[4-[(Z)-1,2-diphenylbut-1-enyl]phenoxy]-N,N-dimethylethanamine
    • 13002-65-8
    • MFCD00010454
    • 2-{4-[(1Z)-1,2-diphenylbut-1-en-1-yl]phenoxy}-N,N-dimethylethanamine
    • (Z)-2-(para-(1,2-Diphenyl-1-butenyl)phenoxy)-N,N-dimethylamine (IUPAC)
    • trans-2-[4-(1,2-Diphenyl-1-butenyl)phenoxy]-N,N-dimethylethylamine
    • HMS2090N08
    • HMS1990J11
    • HMS1792J11
    • HMS1362J11
    • 54965-24-1 (citrate)
    • TRANS FORM OF TAMOXIFEN
    • BIDD:GT0009
    • BIDD:ER0008
    • Ethanamine, 2-(4-(1,2-diphenyl-1-butenyl)phenoxy)-N,N-dimethyl-, (Z)-
    • BIDD:PXR0003
    • (Z)-2-(4-(1,2-Diphenyl-1-butenyl)phenoxy)-N,N-dimethylethanamine
    • 1-para-beta-Dimethylaminoethoxyphenyl-trans-1,2-diphenylbut-1-ene
    • ICI-46,474
    • UPCMLD-DP027
    • 1-p-beta-Dimethylaminoethoxyphenyl-trans-1,2-diphenylbut-1-ene
    • ICI-47699
    • 1ya4
    • Tocris-0999
    • Tamoplex (TN)
    • Tamoxifen (INN)
    • ICI-46474
    • Tamoxifen (TN)
    • Gen-Tamoxifen
    • Novo-Tamoxifen
    • Tamoxifen [INN:BAN]
    • Tamone
    • Nourytam
    • C26H29NO
    • ICI 47699
    • Tamoxifen and its salts
    • Nolvadex-D
    • Pms-Tamoxifen
    • Tomaxithen
    • Novaldex
    • Tamoxifeno [INN-Spanish]
    • Tamoxifenum [INN-Latin]
    • Tamoxifene [INN-French]
    • Tamoxifen (Z)
    • Retaxim
    • Istubol
    • Tamoxifenum
    • Tamoxifeno
    • trans-Tamoxifen
    • Valodex
    • Tamoxen
    • Tamizam
    • Oncomox
    • Diemon
    • Citofen
    • Tamoxifene
    • Soltamox
    • Crisafeno
    • 10540-29-1
    • tamoxifen

Additional Outstanding Products

Tamoxifen Identification Summary Frequently Asked Questions (FAQs)

What’s the chemical formula of tamoxifen?
C26H29NO
How many atoms and what are the elements included the tamoxifen molecule?
57 atom(s) - 29 Hydrogen atom(s), 26 Carbon atom(s), 1 Nitrogen atom(s) and 1 Oxygen atom(s)
How many chemical bonds and what kind of bonds are included the tamoxifen structure?
59 bond(s) - 30 non-H bond(s), 19 multiple bond(s), 8 rotatable bond(s), 1 double bond(s), 18 aromatic bond(s), 3 six-membered ring(s), 1 tertiary amine(s) (aliphatic) and 1 ether(s) (aromatic)
What’s the tamoxifen’s molecular weight?
371.51456 g/mol
What’s the SMILES code of tamoxifen?
CCC(=C(c1ccccc1)c2ccc(OCCN(C)C)cc2)c3ccccc3
What’s the InChI string of tamoxifen?
InChI=1S/C26H29NO/c1-4-25(21-11-7-5-8-12-21)26(22-13-9-6-10-14-22)23-15-17-24(18-16-23)28-20-19-27(2)3/h5-18H,4,19-20H2,1-3H3/b26-25-
What’s the InChIKey code of tamoxifen?
NKANXQFJJICGDU-QPLCGJKRSA-N

1505 The contents of this page can freely be shared if cited as follows:
Source: Mol-Instincts Chemical Database, Predicted on Quantum Chemical Computations.
Please hyperlink "Mol-Instincts" to www.molinstincts.com.

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