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Chemical structure of Ixabepilone

GC16869

Ixabepilone

Also known as (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

A broad-spectrum anticancer agent

ChemicalCAS219989-84-1MW506.7FormulaC27H42N2O5S
CAS number
219989-84-1
Molecular weight
506.7
Formula
C27H42N2O5S
Solubility
≥ 22·25 mg/mL in DMSO, ≥ 41·3 mg/mL in EtOH with gentle warming
InChIKey
FABUFPQFXZVHFB-PVYNADRNSA-N
Catalogue number
GC16869
Brand
GLPBIO
Computed properties PubChem CID 6445540 · XLogP 3.6 · TPSA 140 Ų · H-bond donors 3
XLogP
3.6
TPSA
140 Ų
H-bond donors
3
H-bond acceptors
7
Rotatable bonds
2
Heavy atoms
35

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

Computed descriptors from PubChem (CID 6445540), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

Lead time
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Pricing
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Documents
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