SDF/Mol File of Tamoxifen (C26H29NO)

Structure Data File (SDF/MOL File) Description

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Additional Information for Identifying Tamoxifen Molecule

• Chemical structure of tamoxifen

  By visualizing the structure data file (SDF/MOL File) above, the chemical structure image of tamoxifen is available in chemical structure page of tamoxifen, which specifies the molecular geometry, i.e., the spatial arrangement of atoms and the chemical bonds that hold the atoms together.

• 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 masses of each constituent element multiplied by the number of atoms of that element.

• Chemical formula of tamoxifen

  The chemical formula of tamoxifen is given 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.

• InChI (IUPAC International Chemical Identifier) information of tamoxifen

  An alternative way of expressing structural information in text format is InChI. The full standard InChI of tamoxifen is:

  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-

  It can provide a standard way to encode the molecular information of tamoxifen to facilitate the search for the compound information in databases and on the web.

  The condensed, 27 character standard InChIKey (hashed version of the full standard InChI) of tamoxifen is:

  InChIKey=NKANXQFJJICGDU-QPLCGJKRSA-N

  The InChIKey may allow easier web searches for tamoxifen, but it needs to be linked to the full InChI to get back to the original structure of the tamoxifen since the full standard InChI cannot be reconstructed from the InChIKey.

• Other names (synonyms) or registry numbers of tamoxifen

  The tamoxifen compound may be named differently depending on the various situations of industrial applications. Other names (synonyms) of tamoxifen including the registry numbers are listed below, 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

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Tamoxifen Identification Summary Frequently Asked Questions (FAQs)

What’s the tamoxifen formula?
C26H29NO
How many atoms and what elements are included in 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 in 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 molar mass?
371.51456 g/mol
What’s the SMILES structure of tamoxifen?
CCC(=C(c1ccccc1)c2ccc(OCCN(C)C)cc2)c3ccccc3
What’s the InChI code 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 format of tamoxifen?
NKANXQFJJICGDU-QPLCGJKRSA-N

449 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).