Tinostamustine
7-[5-[bis(2-chloroethyl)amino]-1-methylbenzimidazol-2-yl]-N-hydroxyheptanamide
Molecular Identity
Tinostamustine
7-[5-[bis(2-chloroethyl)amino]-1-methylbenzimidazol-2-yl]-N-hydroxyheptanamide
PubChem CID: 46836227
2D Structure
Properties
C19H28Cl2N4O2
Molecular Formula
415.40
Molecular Weight
g/mol
414.1589
Exact Mass
Da
3.6
XLogP
Drug-like (Lipinski: < 5)
70.4
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
4
H-Bond Acceptors
438
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
Tinostamustine1236199-60-2EDO-S101EDO-S 101EDO-S-101Tinostamustina7-(5-(bis(2-chloroethyl)amino)-1-methyl-1H-benzo[d]imidazol-2-yl)-N-hydroxyheptanamide29DKI2H2NY1H-Benzimidazole-2-heptanamide, 5-[bis(2-chloroethyl)amino]-N-hydroxy-1-methyl-1H-Benzimidazole-2-heptanamide, 5-(bis(2-chloroethyl)amino)-N-hydroxy-1-methyl-tinostamustinum7-(5-(Bis(2-chloroethyl)amino)-1-methyl-1H-benzo(d)imidazol-2-yl)-N-hydroxyheptanamideRefChem:8982137-(5-(bis(2-chloroethyl)amino)-1-methyl-1H-1,3-benzodiazol-2-yl)-N-hydroxyheptanamideTinostamustine [USAN]
Data from PubChem (NCBI)
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