chempirical

Midostaurin

C35H30N4O4CAS 120685-11-2570.65 g/mol

Open in Covalent MOL file
ONOONNOHN
AmideEther

Properties

Molecular formula
C35H30N4O4
Molar mass
570.65 g/mol
Exact mass
570.2267 Da
logP
6.48Crippen estimate
Polar surface area
81.2 Ų
H-bond donors / acceptors
1 / 4
Rotatable bonds
3
Stereocentres
R, R, S, Sin SMILES atom 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
120685-11-2
SMILES
CO[C@@H]1[C@H](N(C)C(=O)c2ccccc2)C[C@@H]2O[C@]1(C)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(O)=NC4
InChIKey
BMGQWWVMWDBQGC-AKZXJVOYSA-N
InChI
InChI=1S/C35H30N4O4/c1-35-32(42-3)25(37(2)34(41)19-11-5-4-6-12-19)17-26(43-35)38-23-15-9-7-13-20(23)28-29-22(18-36-33(29)40)27-21-14-8-10-16-24(21)39(35)31(27)30(28)38/h4-16,25-26,32H,17-18H2,1-3H3,(H,36,40)/t25-,26+,32-,35+/m1/s1

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Names and synonyms

10 names
  • Benzamide, N-[(9S,10R,11R,13R)-2,3,10,11,12,13-hexahydro-10-methoxy-9-methyl-1-oxo-9,13-epoxy-1H,9H-diindolo[1,2,3-gh:3′,2′,1′-lm]pyrrolo[3,4-j][1,7]benzodiazonin-11-yl]-N-methyl-
  • Benzamide, N-(2,3,10,11,12,13-hexahydro-10-methoxy-9-methyl-1-oxo-9,13-epoxy-1H,9H-diindolo[1,2,3-gh:3′,2′,1′-lm]pyrrolo[3,4-j][1,7]benzodiazonin-11-yl)-N-methyl-, [9S-(9α,10β,11β,13α)]-
  • 9,13-Epoxy-1H,9H-diindolo[1,2,3-gh:3′,2′,1′-lm]pyrrolo[3,4-j][1,7]benzodiazonine, benzamide deriv.
  • N-[(9S,10R,11R,13R)-2,3,10,11,12,13-Hexahydro-10-methoxy-9-methyl-1-oxo-9,13-epoxy-1H,9H-diindolo[1,2,3-gh:3′,2′,1′-lm]pyrrolo[3,4-j][1,7]benzodiazonin-11-yl]-N-methylbenzamide
  • CGP 41251
  • Benzoylstaurosporine
  • N-Benzoylstaurosporine
  • CGP 41231
  • PKC 412
  • Rydapt

Work with Midostaurin

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

Similar compounds

Staurosporine62996-74-168 % similar Lestaurtinib111358-88-451 % similar

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

Elsewhere

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