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Chemical structure of Benin (Butocin)

GC33174

Benin (Butocin)

Also known as ethyl 2-[5-(7H-purin-6-ylsulfanyl)pentanoylamino]acetate

Benin (Butocin) is a potent cytostatic drug that can be used for the treatment of generalized carcinoma of the breast

ChemicalCAS22181-94-8MW337.4FormulaC14H19N5O3S
CAS number
22181-94-8
Molecular weight
337.4
Formula
C14H19N5O3S
Solubility
Soluble in DMSO
InChIKey
GOZRRIWDZQPGMN-UHFFFAOYSA-N
Catalogue number
GC33174
Brand
GLPBIO
Computed properties PubChem CID 89617 · XLogP 0.9 · TPSA 135 Ų · H-bond donors 2
XLogP
0.9
TPSA
135 Ų
H-bond donors
2
H-bond acceptors
7
Rotatable bonds
10
Heavy atoms
23

SMILES CCOC(=O)CNC(=O)CCCCSC1=NC=NC2=C1NC=N2

Computed descriptors from PubChem (CID 89617), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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