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Chemical structure of HUP30

GC69245

HUP30

Also known as N-(6-nitro-1,3-benzothiazol-2-yl)cyclohexanecarboxamide

HUP30 is a vasodilator· HUP30 stimulates the production of soluble guanylate cyclase, activates K+ channels, and blocks extracellular Ca2+ influx

ChemicalCAS312747-21-0MW305.35FormulaC14H15N3O3S
CAS number
312747-21-0
Molecular weight
305.35
Formula
C14H15N3O3S
Solubility
DMSO ： 100 mg/mL (327·49 mM; ultrasonic and warming and heat to 50°C)
InChIKey
VMAKFFKOZSLHDW-UHFFFAOYSA-N
Catalogue number
GC69245
Brand
GLPBIO
Computed properties PubChem CID 739510 · XLogP 3.8 · TPSA 116 Ų · H-bond donors 1
XLogP
3.8
TPSA
116 Ų
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
2
Heavy atoms
21

SMILES C1CCC(CC1)C(=O)NC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-]

Computed descriptors from PubChem (CID 739510), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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