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Ixabepilone

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Ixabepilone / CAS : 219989-84-1

Appearance White solid. UN 0.0
HS 29419060 DG Class 0.0
Synonyms 15-Aza-Epob; 16-Aza-Epothilone B; [14C]-Ixabepilone; [1S-[1R*,3R*(E),7R*,10S*,11R*,12R*,16S*]]-7,11-Dihydroxy-8,8,10,12,16-Pentamethyl-3-[1-Methyl-2-(2-Methyl-4-Thiazolyl)Ethenyl]-4-Aza-17-Oxabicyclo[14.1.0]Heptadecane-5,9-Dione; Ixempra; (1S,3S,7S,10R,11S,12S,16R)-7,11-Dihydroxy-8,8,10,12,16-Pentamethyl-3-[(E)-1-(2-Methyl-1,3-Thiazol-4-Yl)Prop-1-En-2-Yl]-17-Oxa-4-Azabicyclo[14.1.0]Heptadecane-5,9-Dione; Azaepothilone B; (1R,5S,6S,7R,10S,14S,16S)-6,10-Dihydroxy-1,5,7,9,9-Pentamethyl-14-[(E) -1-(2-Methyl-1,3-Thiazol-4-Yl)Prop-1-En-2-Yl]-17-Oxa-13-Azabicyclo[14. 1.0]Heptadecane-8,12-Dione; Ixempra Kit; Azi-Epothilone B
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Properties

Summary

Formula
C27H42N2O5S
Molecular Mass
506.69800
Exact Mass
506.28100
PSA
140.29000
Logp
4.37930
IUPAC
(1S,3S,7S,10R,11S,12S,16R)-7,11-dihydroxy-8,8,10,12,16-pentamethyl-3-[(E)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-17-oxa-4-azabicyclo[14.1.0]heptadecane-5,9-dione
SMILES
C[C@H]1CCC[C@@]2([C@@H](O2)C[C@H](NC(=O)C[C@@H](C(C(=O)[C@@H]([C@H]1O)C)(C)C)O)/C(=C/C3=CSC(=N3)C)/C)C

Attribute classification

Matter Classification
organic
Category
API & Intermediate > Antineoplastic Agents

Chemical and Physical Properties

Density
1.122g/cm3
Boiling Point
697.8ºC at 760mmHg
Flash Point
375.8ºC
Appearance
White solid.

Export information

HS Code
29419060
Export Rebate
13%
UN No.
0.0
DG-Class
0.0

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