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Chemical structure of Nepicastat

GC36722

Nepicastat

Also known as 4-(aminomethyl)-3-[(2S)-5,7-difluoro-1,2,3,4-tetrahydronaphthalen-2-yl]-1H-imidazole-2-thione

Nepicastat (SYN117) is a selective, potent, and orally active inhibitor of dopamine-beta-hydroxylase

ChemicalCAS173997-05-2MW295.35FormulaC14H15F2N3S
CAS number
173997-05-2
Molecular weight
295.35
Formula
C14H15F2N3S
Solubility
DMSO: ≥ 48 mg/mL (162·52 mM)
InChIKey
YZZVIKDAOTXDEB-JTQLQIEISA-N
Catalogue number
GC36722
Brand
GLPBIO
Computed properties PubChem CID 9796181 · XLogP 1.4 · TPSA 73.4 Ų · H-bond donors 2
XLogP
1.4
TPSA
73.4 Ų
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
20

SMILES C1CC2=C(C[C@H]1N3C(=CNC3=S)CN)C=C(C=C2F)F

Computed descriptors from PubChem (CID 9796181), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

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Pricing
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Documents
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