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Chemical structure of Atrimustine

GC34155

Atrimustine

Also listed as Atrimustine (Bestrabucil)

Atrimustine (Bestrabucil) is a conjugate of chlorambucil and β-estradiol benzoate with the antitumor activity

ChemicalCAS75219-46-4MW720.72FormulaC41H47Cl2NO6
CAS number
75219-46-4
Molecular weight
720.72
Formula
C41H47Cl2NO6
Solubility
Soluble in DMSO
InChIKey
IFJUINDAXYAPTO-UUBSBJJBSA-N
Catalogue number
GC34155
Brand
GLPBIO
Computed properties PubChem CID 6917688 · XLogP 9.7 · TPSA 82.1 Ų · H-bond donors 0
XLogP
9.7
TPSA
82.1 Ų
H-bond donors
0
H-bond acceptors
7
Rotatable bonds
17
Heavy atoms
50

SMILES C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2OC(=O)COC(=O)CCCC4=CC=C(C=C4)N(CCCl)CCCl)CCC5=C3C=CC(=C5)OC(=O)C6=CC=CC=C6

Computed descriptors from PubChem (CID 6917688), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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