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Everolimus

CAT: 0926-FE23209-01Size: 0.05 gDry Ice: NoHazardous: No
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CAT#:0926-FE23209-01Size:0.05 g
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CAS Number
159351-69-6
Synonyms
42-O- (2-Hydroxyethyl) rapamycin; RAD-001; SDZRAD
MDL Number
MFCD00929329
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) OC
Molecular Formula
C53H83NO14
Molecular Weight
958.23 g/mol
Shipping Conditions
Cool Pack
Controlled
No

Chemical Information

Everolimus

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.

CAS Number159351-69-6
PubChem CID6442177
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
Molecular FormulaC53H83NO14
Molecular Weight958.2
XLogP5.9
Topological Polar Surface Area205
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count14
Rotatable Bond Count9
Heavy Atom Count68
Formal Charge0
Complexity1810
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)OC
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
InChIKey
HKVAMNSJSFKALM-GKUWKFKPSA-N
Chemical Structure
2D Structure
2D structure of Everolimus
CAS: 159351-69-6
CID: 6442177
Formula: C53H83NO14
MW: 958.2
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight958.2
XLogP35.9
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count14
Rotatable Bond Count9
Exact Mass957.58135632
Monoisotopic Mass957.58135632
Topological Polar Surface Area205 Ų
Heavy Atom Count68
Formal Charge0
Complexity1810
Isotope Atom Count0
Defined Atom Stereocenter Count15
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count4
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
MBS3602276-01Everolimus

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