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C32H36ClNO8CAS 43054-45-1598.09 g/mol

Open in Covalent MOL file
NOClOHOOOHOOHOH
AlcoholAlkeneCarboxylic acidEtherTertiary amineVinyl 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 Ų
H-bond donors / acceptors
4 / 6
Rotatable bonds
14

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
43054-45-1
SMILES
CCN(CC)CCOC1=CC=C(C=C1)C(=C(C2=CC=CC=C2)Cl)C3=CC=CC=C3.C(C(=O)O)C(CC(=O)O)(C(=O)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

1 names
  • Clomiphene citrate

Work with Clostilbegit

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

Similar compounds

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

Elsewhere

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