chempirical

Tamoxifen citrate

C32H37NO8CAS 54965-24-1563.65 g/mol

Open in Covalent MOL file
ONOHOOHOOHOOH
AlcoholAlkeneCarboxylic acidEtherTertiary amine

Properties

Molecular formula
C32H37NO8
Molar mass
563.65 g/mol
Exact mass
563.2519 Da
Melting point
140–142 °C
logP
4.75Crippen estimate
Polar surface area
144.6 Ų
H-bond donors / acceptors
4 / 6
Rotatable bonds
13

Identifiers

CAS number
54965-24-1
SMILES
CC/C(=C(c1ccccc1)c1ccc(OCCN(C)C)cc1)c1ccccc1.O=C(O)CC(O)(CC(=O)O)C(=O)O
InChIKey
FQZYTYWMLGAPFJ-OQKDUQJOSA-N
InChI
InChI=1S/C26H29NO.C6H8O7/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;7-3(8)1-6(13,5(11)12)2-4(9)10/h5-18H,4,19-20H2,1-3H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/b26-25-;

Weigh it out

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

Names and synonyms

20 names · show all
  • Kessar
  • Zemide
  • Tamofen
  • TMX
  • Ethanamine, 2-[4-[(1Z)-1,2-diphenyl-1-buten-1-yl]phenoxy]-N,N-dimethyl-, 2-hydroxy-1,2,3-propanetricarboxylate (1:1)
  • Ethanamine, 2-[4-(1,2-diphenyl-1-butenyl)phenoxy]-N,N-dimethyl-, (Z)-, 2-hydroxy-1,2,3-propanetricarboxylate (1:1)
  • Ethanamine, 2-[4-[(1Z)-1,2-diphenyl-1-butenyl]phenoxy]-N,N-dimethyl-, 2-hydroxy-1,2,3-propanetricarboxylate (1:1)
  • Nolvadex
  • ICI 46474
  • Tamoplex
  • Z-Tamoxifen citrate
  • Tamox-puren
  • Tomaxasta
  • Noltam
  • Nourytam
  • I.C.I.46474 Citrate
  • Istubal
  • Valodex
  • Soltamox
  • Genox

Work with Tamoxifen citrate

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

Droloxifene citrate97752-20-086 % similar Toremifene citrate89778-27-879 % similar Tamoxifen10540-29-167 % similar Clostilbegit50-41-964 % similar Enclomiphene citrate7599-79-364 % similar 4-Hydroxytamoxifen68047-06-363 % similar 4-[1-[4-[2-(Dimethylamino)ethoxy]phenyl]-2-phenyl-1-buten-1-yl]phenol68392-35-863 % similar Droloxifene82413-20-559 % similar

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

Same formula

Lasofoxifene tartrate190791-29-8

Elsewhere

PubChem CAS Common Chemistry NIST WebBook