Everolimus
(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
Molecular Identity
Everolimus
(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
PubChem CID: 6442177
Everolimus is a macrocyclic lactone that is rapamycin in which the hydroxy group attached to the cyclohexyl moiety has been converted into the corresponding 2-hydroxyethyl ether. It is an immunosuppressant and antineoplastic agent. It has a role as an anticoronaviral agent, a geroprotector, an antineoplastic agent, an immunosuppressive agent and a mTOR inhibitor. It is a macrolide lactam, a primary alcohol, an ether, a secondary alcohol, a cyclic ketone and a cyclic acetal. It is functionally related to a member of sirolimus.
2D Structure
Properties
C53H83NO14
Molecular Formula
958.20
Molecular Weight
g/mol
957.5814
Exact Mass
Da
5.9
XLogP
Above Lipinski threshold
205
TPSA
May have limited oral absorption
3
H-Bond Donors
14
H-Bond Acceptors
1810
Complexity
SMILES
Canonical SMILES
SMILES: 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)OCIsomeric SMILES
SMILES: 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)OCSynonyms(20)
EverolimusAfinitorCertican159351-69-6ZortressSDZ-RAD42-O-(2-Hydroxyethyl)rapamycinVotubiaSDZ RAD40-O-(2-hydroxyethyl)-rapamycinRAD001Rapamycin, 42-O-(2-hydroxyethyl)-RAD-001Afinitor Disperzeverolimusum
Data from PubChem (NCBI)
This platform is for informational purposes only and does not constitute medical advice. Always consult a qualified healthcare professional.
Drug Network
Trials and conditions connected to Everolimus
Loading drug network...