SML2615
Ixabepilone
≥98% (HPLC)
Synonym(s):
(1S,3S,7S,10R,11S,12S,16R)-7,11-Dihydroxy-8,8,10,12,16-pentamethyl-3-[(1E)-1-methyl-2-(2-methyl-4-thiazolyl)ethenyl]-17-oxa-4-azabicyclo[14.1.0]heptadecane-5,9-dione, Azaepothilone B, BMS-247550, NSC-710428
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About This Item
assay
≥98% (HPLC)
form
powder
optical activity
[α]/D -35 to -45°, c = 1.0 in chloroform-d
storage condition
protect from light
color
white to beige
solubility
DMSO: 2 mg/mL, clear
storage temp.
−20°C
SMILES string
[s]1c(nc(c1)\C=C(\[C@H]2NC(=O)C[C@@H](C(C(=O)[C@@H]([C@H]([C@H](CCC[C@]3(O[C@H]3C2)C)C)O)C)(C)C)O)/C)C
InChI
1S/C27H42N2O5S/c1-15-9-8-10-27(7)22(34-27)12-20(16(2)11-19-14-35-18(4)28-19)29-23(31)13-21(30)26(5,6)25(33)17(3)24(15)32/h11,14-15,17,20-22,24,30,32H,8-10,12-13H2,1-7H3,(H,29,31)/b16-11+/t15-,17+,20-,21-,22-,24-,27+/m0/s1
InChI key
FABUFPQFXZVHFB-PVYNADRNSA-N
Biochem/physiol Actions
signalword
Danger
hcodes
Hazard Classifications
Acute Tox. 3 Oral - Muta. 2 - Repr. 2 - STOT RE 1
target_organs
Gastro-intestinal system,hematopoietic system,Nervous system,lymphatics
Storage Class
6.1C - Combustible acute toxic Cat.3 / toxic compounds or compounds which causing chronic effects
wgk
WGK 3
flash_point_f
Not applicable
flash_point_c
Not applicable
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