chempirical

Sunitinib malate

C26H33FN4O7CAS 341031-54-7532.57 g/mol

Open in Covalent MOL file
NNHONHFNHOOOHOHOHO
AlcoholAlkeneAmideAryl halideCarboxylic acidLactamTertiary amine

Properties

Molecular formula
C26H33FN4O7
Molar mass
532.57 g/mol
Exact mass
532.2333 Da
logP
2.24Crippen estimate
Polar surface area
172.1 Ų
H-bond donors / acceptors
6 / 6
Rotatable bonds
10
Stereocentres
Sin SMILES atom order
Double bonds
ZE/Z, in SMILES order

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
341031-54-7
SMILES
CCN(CC)CCNC(=O)C1=C(NC(=C1C)/C=C\2/C3=C(C=CC(=C3)F)NC2=O)C.C([C@@H](C(=O)O)O)C(=O)O
InChIKey
LBWFXVZLPYTWQI-IPOVEDGCSA-N
InChI
InChI=1S/C22H27FN4O2.C4H6O5/c1-5-27(6-2)10-9-24-22(29)20-13(3)19(25-14(20)4)12-17-16-11-15(23)7-8-18(16)26-21(17)28;5-2(4(8)9)1-3(6)7/h7-8,11-12,25H,5-6,9-10H2,1-4H3,(H,24,29)(H,26,28);2,5H,1H2,(H,6,7)(H,8,9)/b17-12-;/t;2-/m.0/s1

Weigh it out

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

Names and synonyms

7 names
  • Butanedioic acid, 2-hydroxy-, (2S)-, compd. with N-[2-(diethylamino)ethyl]-5-[(Z)-(5-fluoro-1,2-dihydro-2-oxo-3H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide (1:1)
  • Butanedioic acid, hydroxy-, (2S)-, compd. with N-[2-(diethylamino)ethyl]-5-[(Z)-(5-fluoro-1,2-dihydro-2-oxo-3H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide (1:1)
  • 1H-Pyrrole-3-carboxamide, N-[2-(diethylamino)ethyl]-5-[(Z)-(5-fluoro-1,2-dihydro-2-oxo-3H-indol-3-ylidene)methyl]-2,4-dimethyl-, (2S)-hydroxybutanedioate (1:1)
  • SU 011248
  • SU 11248
  • Sutent
  • Sunitinib L-malate

Work with Sunitinib malate

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.

Malic acid6915-15-7Free acid, stereo not defined Malic acid617-48-1Free acid, stereo not defined L-Malic acid97-67-6Free acid D-Malic acid636-61-3Free acid, enantiomer Sunitinib557795-19-4Free base, stereo not defined Sodium malate676-46-0Salt, stereo not defined Magnesium malate869-06-7Salt, stereo not defined Pizotifen malate5189-11-7Salt, stereo not defined Clebopride hydrogen malate57645-91-7Salt, stereo not defined Almotriptan malate181183-52-8Salt, stereo not defined L-Hydroxysuccinic acid disodium salt138-09-0Salt Sodium malate22798-10-3Salt, stereo not defined

Similar compounds

Toceranib phosphate874819-74-665 % similar N-(2-(Diethylamino)ethyl)-5-formyl-2,4-dimethyl-1H-pyrrole-3-carboxamide356068-86-545 % similar Vegf receptor 2 kinase inhibitor I15966-93-539 % similar Su 11274658084-23-237 % similar

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

Elsewhere

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