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Chemical structure of ABT-639

GC19016

ABT-639

Also known as 5-[(8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl]-4-chloro-2-fluoro-N-(2-fluorophenyl)benzenesulfonamide

ABT-639 is a novel, peripherally acting, selective T-type Ca2+ channel blocker

ChemicalCAS1235560-28-7MW455.91FormulaC20H20ClF2N3O3S
CAS number
1235560-28-7
Molecular weight
455.91
Formula
C20H20ClF2N3O3S
Solubility
DMSO : 10 mg/mL (21·93 mM)
InChIKey
AGPIHNZOZNKRGT-CYBMUJFWSA-N
Catalogue number
GC19016
Brand
GLPBIO
Computed properties PubChem CID 46851313 · XLogP 3.1 · TPSA 78.1 Ų · H-bond donors 1
XLogP
3.1
TPSA
78.1 Ų
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
4
Heavy atoms
30

SMILES C1C[C@@H]2CN(CCN2C1)C(=O)C3=CC(=C(C=C3Cl)F)S(=O)(=O)NC4=CC=CC=C4F

Computed descriptors from PubChem (CID 46851313), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

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