Enclomiphene citrate

C₃₂H₃₆ClNO₈CAS 7599-79-3598.09 g/mol

Open in Covalent MOL file

Alcohol Alkene Carboxylic acid Ether Tertiary amine Vinyl halide

Properties

Molecular formula: C₃₂H₃₆ClNO₈
Molar mass: 598.09 g/mol
Exact mass: 597.2129 Da
logP: 5.31Crippen estimate
Polar surface area: 144.6 Å²
H-bond donors / acceptors: 4 / 6
Rotatable bonds: 14
Double bonds: EE/Z, in SMILES order

Hazards

Danger

H360 May damage fertility or the unborn child100% of notifiers

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

Precautionary statements

P203, P280, P318, P405, P501

Identifiers

CAS number

7599-79-3

SMILES

CCN(CC)CCOc1ccc(/C(=C(/Cl)c2ccccc2)c2ccccc2)cc1.O=C(O)CC(O)(CC(=O)O)C(=O)O

InChIKey

PYTMYKVIJXPNBD-BTKVJIOYSA-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)/b26-25+;

Weigh it out

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

Names and synonyms

9 names

Ethanamine, 2-[4-[(1E)-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), (E)-
Ethanamine, 2-[4-(2-chloro-1,2-diphenylethenyl)phenoxy]-N,N-diethyl-, (E)-, 2-hydroxy-1,2,3-propanetricarboxylate (1:1)
trans-Clomiphene citrate
Clomiphene B citrate
Enclomid
(E)-Clomiphene citrate
Androxal
EnCyzix

Work with Enclomiphene 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 Enclomiphene15690-57-0Free base Clomiphene911-45-5Free base, stereo not defined Clostilbegit50-41-9Stereo not defined Clostilbegit43054-45-1Stereo not defined 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

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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