chempirical

Everolimus

C53H83NO14CAS 159351-69-6958.24 g/mol

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AlcoholAlkeneAmideEsterEtherKetoneLactamLactone

Properties

Molecular formula
C53H83NO14
Molar mass
958.24 g/mol
Exact mass
957.5814 Da
logP
6.20Crippen estimate
Polar surface area
204.7 Ų
H-bond donors / acceptors
3 / 14
Rotatable bonds
9
Stereocentres
S, S, R, R, S, S, R, S, R, R, R, R, R, R, Sin SMILES atom order
Double bonds
E, E, EE/Z, in SMILES order

Identifiers

CAS number
159351-69-6
SMILES
CO[C@H]1C[C@@H]2CC[C@@H](C)[C@@](O)(O2)C(=O)C(=O)N2CCCC[C@H]2C(=O)O[C@H]([C@H](C)C[C@@H]2CC[C@@H](OCCO)[C@H](OC)C2)CC(=O)[C@H](C)/C=C(C)[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)/C=C/C=C/C=C/1C
InChIKey
HKVAMNSJSFKALM-GKUWKFKPSA-N
InChI
InChI=1S/C53H83NO14/c1-32-16-12-11-13-17-33(2)44(63-8)30-40-21-19-38(7)53(62,68-40)50(59)51(60)54-23-15-14-18-41(54)52(61)67-45(35(4)28-39-20-22-43(66-25-24-55)46(29-39)64-9)31-42(56)34(3)27-37(6)48(58)49(65-10)47(57)36(5)26-32/h11-13,16-17,27,32,34-36,38-41,43-46,48-49,55,58,62H,14-15,18-26,28-31H2,1-10H3/b13-11+,16-12+,33-17+,37-27+/t32-,34-,35-,36-,38-,39+,40+,41+,43-,44+,45+,46-,48-,49+,53-/m1/s1

Weigh it out

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

Names and synonyms

14 names · show all
  • Rapamycin, 42-O-(2-hydroxyethyl)-
  • 23,27-Epoxy-3H-pyrido[2,1-c][1,4]oxaazacyclohentriacontine, rapamycin deriv.
  • 42-O-(2-Hydroxyethyl)rapamycin
  • 40-O-(2-Hydroxyethyl)rapamycin
  • SDZ-RAD
  • RAD 001
  • RAD
  • Certican
  • XIENCE V
  • Afinitor
  • Zortress
  • Xience
  • Afinitor disperz
  • Votubia

Work with Everolimus

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

Everolimus O-ethyl impurity1704711-12-593 % similar Rapamycin53123-88-989 % similar Ridaforolimus572924-54-086 % similar Temsirolimus162635-04-385 % similar Zotarolimus221877-54-980 % similar Ascomycin104987-12-438 % similar Immunomycin11011-38-438 % similar (-)-Pimecrolimus137071-32-037 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook