chempirical

Tamoxifen

C26H29NOCAS 10540-29-1371.52 g/mol

Open in Covalent MOL file
ON
AlkeneEtherTertiary amine

Properties

Molecular formula
C26H29NO
Molar mass
371.52 g/mol
Exact mass
371.2249 Da
Melting point
96–98 °C
logP
6.00Crippen estimate
Polar surface area
12.5 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
8

Identifiers

CAS number
10540-29-1
SMILES
CC/C(=C(c1ccccc1)c1ccc(OCCN(C)C)cc1)c1ccccc1
InChIKey
NKANXQFJJICGDU-QPLCGJKRSA-N
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-

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

11 names
  • Ethanamine, 2-[4-[(1Z)-1,2-diphenyl-1-buten-1-yl]phenoxy]-N,N-dimethyl-
  • Ethylamine, 2-[p-(1,2-diphenyl-1-butenyl)phenoxy]-N,N-dimethyl-, (Z)-
  • Ethanamine, 2-[4-(1,2-diphenyl-1-butenyl)phenoxy]-N,N-dimethyl-, (Z)-
  • Ethanamine, 2-[4-[(1Z)-1,2-diphenyl-1-butenyl]phenoxy]-N,N-dimethyl-
  • 2-[4-[(1Z)-1,2-Diphenyl-1-buten-1-yl]phenoxy]-N,N-dimethylethanamine
  • trans-Tamoxifen
  • ICI 47699
  • Z-Tamoxifen
  • Mammaton
  • (Z)-2-[4-(1,2-Diphenyl-1-butenyl)phenoxy]-N,N-dimethylethanamine
  • Novaldex

Work with Tamoxifen

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

4-Hydroxytamoxifen68047-06-386 % similar 4-[1-[4-[2-(Dimethylamino)ethoxy]phenyl]-2-phenyl-1-buten-1-yl]phenol68392-35-886 % similar Droloxifene82413-20-579 % similar Toremifene89778-26-771 % similar Tamoxifen citrate54965-24-167 % similar Droloxifene citrate97752-20-058 % similar Endoxifen112093-28-457 % similar Enclomiphene15690-57-051 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook