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C32H36ClNO8CAS 50-41-9598.09 g/mol

Open in Covalent MOL file
NOClOHOOHOOHOHO
AlcoholAlkeneCarboxylic acidEtherTertiary amineVinyl halide

Properties

Molecular formula
C32H36ClNO8
Molar mass
598.09 g/mol
Exact mass
597.2129 Da
Melting point
116.5–118 °C
logP
5.31Crippen estimate
Polar surface area
144.6 Ų
H-bond donors / acceptors
4 / 6
Rotatable bonds
14

Hazards

Danger
Health Hazard (GHS08)

Aggregated from 50 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P203, P280, P318, P405, P501

Identifiers

CAS number
50-41-9
SMILES
CCN(CC)CCOc1ccc(C(=C(Cl)c2ccccc2)c2ccccc2)cc1.O=C(O)CC(O)(CC(=O)O)C(=O)O
InChIKey
PYTMYKVIJXPNBD-UHFFFAOYSA-N
InChI
InChI=1S/C26H28ClNO.C6H8O7/c1-3-28(4-2)19-20-29-24-17-15-22(16-18-24)25(21-11-7-5-8-12-21)26(27)23-13-9-6-10-14-23;7-3(8)1-6(13,5(11)12)2-4(9)10/h5-18H,3-4,19-20H2,1-2H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)

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Names and synonyms

31 names · show all
  • Mer 41
  • Ethanamine, 2-[4-(2-chloro-1,2-diphenylethenyl)phenoxy]-N,N-diethyl-, 2-hydroxy-1,2,3-propanetricarboxylate (1:1)
  • Triethylamine, 2-[p-(2-chloro-1,2-diphenylvinyl)phenoxy]-, citrate (1:1)
  • Triethylamine, 2-[p-(2-chloro-1,2-diphenylvinyl)phenoxy]-, citrate
  • MRL 41
  • Chloramiphene
  • 2-[p-(2-Chloro-1,2-diphenylvinyl)phenoxy]triethylamine dihydrogen citrate
  • Clomid
  • 1-[p-(β-Diethylaminoethoxy)phenyl]-1,2-diphenyl-2-chloroethylene citrate
  • Clomiphene citrate
  • Clomiphene dihydrogen citrate
  • Racemic clomiphene citrate
  • Clomifene citrate
  • Omifin
  • Clomifeno
  • Clomivid
  • Clomphid
  • Dyneric
  • Genozym
  • Ikaclomin
  • Fertyl
  • Fertivet
  • Clostilbegyt
  • Ikaclomine
  • Pergotime
  • Serophene
  • NSC 35770
  • Clomhexal
  • Siphene
  • Klomen
  • 2-(4-(2-Chloro-1,2-diphenylvinyl)phenoxy)-N,N-diethylethanamine 2-hydroxypropane-1,2,3-tricarboxylate

Work with Clostilbegit

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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 Enclomiphene15690-57-0Free base, defined stereoisomer Clomiphene911-45-5Free base Enclomiphene citrate7599-79-3Defined stereoisomer Trisodium citrate68-04-2Salt Potassium citrate866-84-2Salt Ammonium ferric citrate1185-57-5Salt Calcium citrate813-94-5Salt Disodium citrate144-33-2Salt Monosodium citrate18996-35-5Salt Piperazine citrate144-29-6Salt

Similar compounds

Tesmilifene98774-23-341 % similar Tamoxifen10540-29-137 % similar 4-Hydroxytamoxifen68047-06-336 % similar 4-[1-[4-[2-(Dimethylamino)ethoxy]phenyl]-2-phenyl-1-buten-1-yl]phenol68392-35-836 % similar Benactyzine hydrochloride57-37-436 % similar Toremifene89778-26-736 % similar 3-Phenoxypropionic acid7170-38-935 % similar Tilorone hydrochloride27591-69-135 % similar

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

Elsewhere

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