(1R,9S,12S,15R,16E,18R,19R,21R,23S,24E,26E,28E,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

  • Description:
  • Formula: C53H83NO14
  • Molar mass: 958.2 g mol-1
  • InChI Key: HKVAMNSJSFKALM-GKUWKFKPSA-N
(1R,9S,12S,15R,16E,18R,19R,21R,23S,24E,26E,28E,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

Identifiers (20)

  • Standard 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 (Source: PubChem)
  • IUPAC Name: (1R,9S,12S,15R,16E,18R,19R,21R,23S,24E,26E,28E,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 (Source: PubChem)
  • PubChem CID: 6442177 (Source: PubChem)
  • Connectivity SMILES string: CC1CCC2CC(C(=CC=CC=CC(CC(C(=O)C(C(C(=CC(C(=O)CC(OC(=O)C3CCCCN3C(=O)C(=O)C1(O2)O)C(C)CC4CCC(C(C4)OC)OCCO)C)C)O)OC)C)C)C)OC (Source: PubChem)
  • SMILES String: C[C@@H]1CC[C@H]2C[C@@H](/C(=C/C=C/C=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 (Source: PubChem)
  • ChEMBL ID: CHEMBL1908360 (Source: PubChem)
  • WHO ATC Classification Drug Code: L01EG02 (Source: ChEMBL)
  • WHO ATC Classification Drug Code: L04AH02 (Source: ChEMBL)
  • WHO ATC Classification Drug Name: Everolimus (Source: ChEMBL)
  • British National Formulary: Everolimus (Source: ChEMBL)
  • Connectivity SMILES string: 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 (Source: ChEMBL)
  • European Medicines Agency Name: Everolimus (Source: ChEMBL)
  • International Nonproprietary Name: Everolimus (Source: ChEMBL)
  • Japanese Adopted Name: Everolimus (Source: ChEMBL)
  • Merck Index Name: Everolimus (Source: ChEMBL)
  • Preferred Name: EVEROLIMUS (Source: ChEMBL)
  • Standard 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 (Source: ChEMBL)
  • Standard InChIKey: HKVAMNSJSFKALM-GKUWKFKPSA-N (Source: ChEMBL)
  • US Adopted Name: Everolimus (Source: ChEMBL)
  • US Pharmacopia Name: Everolimus (Source: ChEMBL)
  • Data (11)

  • Thermodynamic parameters: 6.20 (Source: ChEMBL)
  • Molecule statistics: 68 (Source: ChEMBL)
  • Molecule statistics: 14 (Source: ChEMBL)
  • Molecule statistics: 3 (Source: ChEMBL)
  • Mass parameters: 958.24 g/mol (Source: ChEMBL)
  • Mass parameters: 958.24 g/mol (Source: ChEMBL)
  • Molecule statistics: 1.84 (Source: ChEMBL)
  • Molecule statistics: 204.66 (Source: ChEMBL)
  • Molecule statistics: 0.13 (Source: ChEMBL)
  • Molecule statistics: 9 (Source: ChEMBL)
  • Molecule statistics: 3 (Source: ChEMBL)
  • Information (7)

  • Chirality: 1 (Source: ChEMBL)
  • Chemical formula: C53H83NO14 (Source: ChEMBL)
  • Molecule type: Small molecule (Source: ChEMBL)
  • Natural product: 1 (Source: ChEMBL)
  • Passes the rule of three : N (Source: ChEMBL)
  • USAN STEM Defintion: immunosuppressives (Source: ChEMBL)
  • USAN STEM: -imus (Source: ChEMBL)