Chemical Compound

Everolimus

CAS Registry Number159351-69-6
Everolimus chemical structure
Primary record

Everolimus

CAS
159351-69-6
PubChem CID
176872
SMILES
C[C@@H]1CC[C@H]2C[C@@H](C(=CC=CC=C[C@H](C[C@H](C(=O)[C@@H]([C@@H](C(=C[C@H](C(=O)C[C@H](OC(=O)[C@@H]3CCCCN3C(=O)C(=O)[C@@]1(O2)O)[C@H](C)C[C@@H]4CC[C@H]([C@@H](C4)OC)OCCO)C)C)O)OC)C)C)C)OC
Molecular Formula
C53H83NO14
Molecular Weight
958.24
Exact Mass
957.5814
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/t32-,34-,35-,36-,38-,39+,40+,41+,43-,44+,45+,46-,48-,49+,53-/m1/s1
InChIKey
HKVAMNSJSFKALM-DHGBBOBXSA-N
LogP
6.1972
TPSA
204.66

Names and synonyms

  • Everolimus
  • Afinitor
  • Certican
  • Zortress
  • Votubia
  • Afinitor Disperz
  • Everolimus [USAN]
  • XIENCE V
  • SDZ-RAD
  • UNII-9HW64Q8G6G
  • Everolimus [USAN:INN:BAN]
  • RAD001
  • SCHEMBL2588721
  • 40-O-(2-Hydroxyethyl)rapamycin
  • 42-O-(2-Hydroxyethyl)rapamycin
  • RAD 001
  • 40-O-(2-hydroxyethyl)-rapamycin
  • C53H83NO14
  • Rapamycin, 42-O-(2-hydroxyethyl)-
  • 42-O-(2-Hydroxy)ethyl rapamycin
  • LSM-5313
  • 159351-69-6
  • MFCD00929329
  • C53-H83-N-O14
  • ZINC254113657
  • CID 176872
  • SY028645
  • L-Ornithine alpha-ketoglutarate(1:1) dihydrate
  • Q27166364
  • (1R,9S,12S,15R,18R,19R,21R,23S,30S,32S,35R)-1,18-Dihydroxy-12-[(2R)-1-[(1S,3R,4R)-4-(2-hydroxyethoxy)-3-methoxycyclohexyl]propan-2-yl]-19,30-dimethoxy-15,17,21,23,29,35-hexamethyl-11,36-dioxa-4-azatricyclo[30.3.1.04,9]hexatriaconta-16,24,26,28-tetraene-2,3,10,14,20-pentone