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Chemical structure of Ombrabulin

GC32551

Ombrabulin

Also listed as Ombrabulin (AC-7700)

Ombrabulin (AC-7700) (AVE8062) is a derivative of CA-4 phosphate, which is known to exhibit antivascular effects through selective disruption of the tubulin cytoskeleton of endothelial cells

ChemicalCAS181816-48-8MW402.44FormulaC21H26N2O6
CAS number
181816-48-8
Molecular weight
402.44
Formula
C21H26N2O6
Solubility
DMSO : 100 mg/mL (248·48 mM; Need ultrasonic)
InChIKey
IXWNTLSTOZFSCM-YVACAVLKSA-N
Catalogue number
GC32551
Brand
GLPBIO
Computed properties PubChem CID 6918405 · XLogP 2.2 · TPSA 112 Ų · H-bond donors 3
XLogP
2.2
TPSA
112 Ų
H-bond donors
3
H-bond acceptors
7
Rotatable bonds
9
Heavy atoms
29

SMILES COC1=C(C=C(C=C1)/C=C\C2=CC(=C(C(=C2)OC)OC)OC)NC(=O)[C@H](CO)N

Computed descriptors from PubChem (CID 6918405), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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