Everolimus

CAT: 0127-BUP15400-02Size: 10 mgDry Ice: NoHazardous: No

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CAS Number

159351-69-6

Synonyms

RAD001, SDZ-RAD

Purity

=95%

Smiles

[H][C@@]12CC[C@@H](C)[C@@](O)(O1)C(=O)C(=O)N1CCCC[C@@]1([H])C(=O)O[C@@]([H])(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(C)\[C@H](C2)OC)[C@H](C)C[C@@H]1CC[C@@H](OCCO)[C@@H](C1)OC

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 Number	159351-69-6
PubChem CID	6442177
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 Formula	C53H83NO14
Molecular Weight	958.2
XLogP	5.9
Topological Polar Surface Area	205
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	14
Rotatable Bond Count	9
Heavy Atom Count	68
Formal Charge	0
Complexity	1810

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

CAS: 159351-69-6

CID: 6442177

Formula: C53H83NO14

MW: 958.2

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	958.2
XLogP3	5.9
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	14
Rotatable Bond Count	9
Exact Mass	957.58135632
Monoisotopic Mass	957.58135632
Topological Polar Surface Area	205 Å²
Heavy Atom Count	68
Formal Charge	0
Complexity	1810
Isotope Atom Count	0
Defined Atom Stereocenter Count	15
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	4
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Alternative Products

Catalog	Name
FE23209-01	Everolimus

Everolimus

Chemical Information

Alternative Products

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