Tamoxifen citrate

C₃₂H₃₇NO₈CAS 54965-24-1563.65 g/mol

Open in Covalent MOL file

Alcohol Alkene Carboxylic acid Ether Tertiary 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 Å²
H-bond donors / acceptors: 4 / 6
Rotatable bonds: 13

Hazards

Danger

H302 Harmful if swallowed97.4% of notifiers
H350 May cause cancer97.4% of notifiers
H360 May damage fertility or the unborn child96.2% of notifiers
H362 May cause harm to breast-fed children39.7% of notifiers
H410 Very toxic to aquatic life with long lasting effects11.5% of notifiers

Aggregated from 78 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P203, P260, P263, P264, P270, P273, P280, P301+P317, P318, P330, P391, P405, P501

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-;

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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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

2-Hydroxy-1,2,3-propanetricarboxylic acid hydrate (1:1)5949-29-1Hydrate Citric acid77-92-9Free acid Tamoxifen10540-29-1Free base Trisodium citrate68-04-2Salt Potassium citrate866-84-2Salt Calcium citrate813-94-5Salt Ammonium ferric citrate1185-57-5Salt Disodium citrate144-33-2Salt Monosodium citrate18996-35-5Salt Piperazine citrate144-29-6Salt Triammonium citrate3458-72-8Salt Aluminium citrate31142-56-0Salt

Similar compounds

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 Toremifene89778-26-751 % similar Endoxifen112093-28-444 % similar Enclomiphene15690-57-037 % similar Clomiphene911-45-537 % similar Donormil562-10-736 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Lasofoxifene tartrate190791-29-8

Elsewhere

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