chempirical

Eltrombopag olamine

C27H29N5O5CAS 496775-62-3503.56 g/mol

Open in Covalent MOL file
NNONHNOHOHOH2NOH
AlcoholAmideCarboxylic acidHydrazoneLactamPhenolPrimary amineSecondary amine

Properties

Molecular formula
C27H29N5O5
Molar mass
503.56 g/mol
Exact mass
503.2169 Da
logP
3.50Crippen estimate
Polar surface area
160.8 Ų
H-bond donors / acceptors
5 / 8
Rotatable bonds
6

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
496775-62-3
SMILES
CC1=NN(c2ccc(C)c(C)c2)C(=O)/C1=NNc1cccc(-c2cccc(C(=O)O)c2)c1O.NCCO
InChIKey
LQQUHOUXABUDJA-OUFJFOJPSA-N
InChI
InChI=1S/C25H22N4O4.C2H7NO/c1-14-10-11-19(12-15(14)2)29-24(31)22(16(3)28-29)27-26-21-9-5-8-20(23(21)30)17-6-4-7-18(13-17)25(32)33;3-1-2-4/h4-13,26,30H,1-3H3,(H,32,33);4H,1-3H2/b27-22-;

Weigh it out

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Names and synonyms

6 names
  • [1,1′-Biphenyl]-3-carboxylic acid, 3′-[(2Z)-2-[1-(3,4-dimethylphenyl)-1,5-dihydro-3-methyl-5-oxo-4H-pyrazol-4-ylidene]hydrazinyl]-2′-hydroxy-, compd. with 2-aminoethanol (1:2)
  • [1,1′-Biphenyl]-3-carboxylic acid, 3′-[(2Z)-[1-(3,4-dimethylphenyl)-1,5-dihydro-3-methyl-5-oxo-4H-pyrazol-4-ylidene]hydrazino]-2′-hydroxy-, compd. with 2-aminoethanol (1:2)
  • SB 497115GR
  • Promacta
  • Eltrombopag diethanolamine salt
  • Revolade

Work with Eltrombopag olamine

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.

Eltrombopag496775-61-2Free acid Ethanolamine141-43-5Free base Piroctone olamine68890-66-4Salt Niclosamide ethanolamine salt1420-04-8Salt Ciclopirox olamine41621-49-2Salt Ethanolamine hydrochloride2002-24-6Salt

Similar compounds

3-(3-Amino-2-hydroxyphenyl)benzoic acid376592-93-737 % similar 2′-Hydroxy-3′-nitro[1,1′-biphenyl]-3-carboxylic acid376591-95-633 % similar 2'-Chloro-biphenyl-3-carboxylic acid168619-03-232 % similar 4-[4-[[5-(4,5-Dimethyl-2-nitrophenyl)-2-furanyl]methylene]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl]benzoic acid328968-36-132 % similar 2-(3,4-Dimethylphenyl)-2,4-dihydro-5-methyl-3H-pyrazol-3-one18048-64-130 % similar 2′-Methoxy[1,1′-biphenyl]-3-carboxylic acid168618-47-130 % similar

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

Elsewhere

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