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Temsirolimus

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Temsirolimus / CAS : 162635-04-3

Appearance white to off-white powder UN -
HS 2934 9990 DG Class -
Synonyms Ccl-779; Temsirolimus (~); Rapamycin 42-[3-Hydroxy-2-(Hydroxymethyl)-2-Methylpropanoate; Rapamycin 42-Ester With 3-Hydroxy-2-(Hydroxymethyl)-2-Methylpropionic Acid; (1R,2R,4S)-4-{(2R)-2-[(3S,6R,7E,9R,10R,12R,14S,15E,17E,19E,21S,23S,26R,27R,34As)-9,27-Dihydroxy-10,21-Dimethoxy-6,8,12,14,20,26-Hexamethyl-1,5,11,28,29-Pentaoxo-1,4,5,6,9,10,11,12,13,14,21,22,23,24,25,26,27,28,29,31,32,33,34,34A-Tetracosahydro-3H-23,27-Epoxypyrido[2,1-C][1,4]Oxazacyclohentriacontin-3-Yl]Propyl}-2-Methoxycyclohexyl 3-Hydroxy-2-(Hydroxymethyl)-2-Methylpropanoate; [14C]-Temsirolimus; 42-[3-Hydroxy-2-(Hydroxymethyl)-2-Methylpropanoate]Rapamycin; Rapamycin (42-[3-Hydroxy-2-(Hydroxymethyl)-2-Methylpropanoate]; Temsirolimus (Torisel); Temsirolimus (Cci-779,Torisel)
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Properties

Summary

Formula
C56H87NO16
Molecular Mass
1030.29000
Exact Mass
1029.60000
PSA
241.96000
Logp
5.66030
IUPAC
[(1R,2R,4S)-4-[(2R)-2-[(1R,9S,12S,15R,16E,18R,19R,21R,23S,24E,26E,28E,30S,32S,35R)-1,18-dihydroxy-19,30-dimethoxy-15,17,21,23,29,35-hexamethyl-2,3,10,14,20-pentaoxo-11,36-dioxa-4-azatricyclo[30.3.1.04,9]hexatriaconta-16,24,26,28-tetraen-12-yl]propyl]-2-methoxycyclohexyl] 3-hydroxy-2-(hydroxymethyl)-2-methylpropanoate
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)OC(=O)C(C)(CO)CO)C)/C)O)OC)C)C)/C)OC

Attribute classification

Matter Classification
organic
Category
API & Intermediate > Pharmaceutical Raw Materials

Chemical and Physical Properties

Melting Point
99-101ºC
Density
1.2g/cm3
Boiling Point
1048.4ºC
Flash Point
587.8ºC
Appearance
white to off-white powder
Acidity and Basicity
neutral

Export information

HS Code
2934 9990
Export Rebate
10%

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