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Chemical structure of desethyl KB 3022

GC32663

desethyl KB 3022

Also listed as Desethyl KBT-3022

Desethyl KBT-3022 is the main active metabolite of the new antiplatelet agent, KBT-3022

ChemicalCAS101001-72-3MW420.48FormulaC23H20N2O4S
CAS number
101001-72-3
Molecular weight
420.48
Formula
C23H20N2O4S
Solubility
Soluble in DMSO
InChIKey
KJSPVPWIMGZXOF-UHFFFAOYSA-N
Catalogue number
GC32663
Brand
GLPBIO
Computed properties PubChem CID 127736 · XLogP 4.4 · TPSA 102 Ų · H-bond donors 1
XLogP
4.4
TPSA
102 Ų
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
7
Heavy atoms
30

SMILES COC1=CC=C(C=C1)C2=C(SC(=N2)C3=CC=CN3CC(=O)O)C4=CC=C(C=C4)OC

Computed descriptors from PubChem (CID 127736), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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