CAS No. 159351-69-6

 

Product Information

Chemical Formula: C53H83NO14
Molecular Weight:958.22
Synonyms:23,27-Epoxy-3H-Pyrido[2,1-C][1,4]Oxaazacyclohentriacontine, Rapamycin Deriv; Everolimus Solution ; Everolimus, >=98%; 42-O-(2-Hydroxyethyl)-Rapamycin; Certica; Rad-001; Sdzrad; Rapamycin, 42-O-(2-Hydroxyethyl)-
MDL No.:MFCD00929329
EINECS / EC No.:N/A
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
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
InchI Key:HKVAMNSJSFKALM-GKUWKFKPSA-N
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)OC
Appearance:off white solid
Melting Point:N/A
Boiling Point:998.7 °C at 760 mmHg
Density (Theoretical):1.18 g/cm3
Refractive Index:1.548

Safety Information

Signal Word: Warning
Hazard Statements:H302
Precautionary Statements:P280-P305 P351 P338
Flash Point:2 °C
Transportation Information:N/A
GHS Pictograms:Exclamation Mark - GHS07