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Chemical structure of Lisavanbulin dihydrochloride

GC74104

Lisavanbulin dihydrochloride

Also known as (2S)-2,6-diamino-N-[4-[2-[2-[4-(2-cyanoethylamino)-1,2,5-oxadiazol-3-yl]benzimidazol-1-yl]acetyl]phenyl]hexanamide;dihydrochloride

Lisavanbulin (BAL-101553) didrochloride is the prodrug of the microtubule targeting agent Avanbulin (BAL 27862)

ChemicalCAS1387574-54-0MW588.49FormulaC26H31Cl2N9O3
CAS number
1387574-54-0
Molecular weight
588.49
Formula
C26H31Cl2N9O3
Solubility
DMSO ： 125 mg/mL (212·41 mM; Need ultrasonic)
InChIKey
AOKATNWVGVIXOQ-TXEPZDRESA-N
Catalogue number
GC74104
Brand
GLPBIO
Computed properties PubChem CID 45259013 · TPSA 191 Ų · H-bond donors 6 · H-bond acceptors 10
TPSA
191 Ų
H-bond donors
6
H-bond acceptors
10
Rotatable bonds
13
Heavy atoms
40

SMILES C1=CC=C2C(=C1)N=C(N2CC(=O)C3=CC=C(C=C3)NC(=O)[C@H](CCCCN)N)C4=NON=C4NCCC#N.Cl.Cl

Computed descriptors from PubChem (CID 45259013), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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