6,7-dichloro-3-(hydroxyimino)-2,3-dihydro-1H-indol-2-one

• ChemBase ID: 154230
• Molecular Formular: C8H4Cl2N2O2
• Molecular Mass: 231.03556
• Monoisotopic Mass: 229.96498274
• SMILES: c1cc(c(c2c1/C(=N/O)/C(=O)N2)Cl)Cl
• Canonical SMILES: O/N=C/1\C(=O)Nc2c1ccc(c2Cl)Cl
• InChI: InChI=1S/C8H4Cl2N2O2/c9-4-2-1-3-6(5(4)10)11-8(13)7(3)12-14/h1-2,14H,(H,11,12,13)
• InChIKey: CVOUSAVHMDXCKG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6,7-dichloro-3-(hydroxyimino)-2,3-dihydro-1H-indol-2-one
• IUPAC Traditional name: 6,7-dichloro-3-(hydroxyimino)-1H-indol-2-one
• Synonyms: 3-Oxime-6,7-dichloro-1H-indole-2,3-dione; NS309

Database IDs

• CAS Number: 18711-16-5
• MDL Number: MFCD06798346
• PubChem SID: 162248369
• PubChem CID: 11637204

CALCULATED PROPERTIES

• Acid pKa: 5.501372
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 1.8705895
• LogD (pH = 7.4): 0.3901646
• Log P: 2.1691127
• Molar Refractivity: 53.9063 cm^3
• Polarizability: 19.848684 Å^3
• Polar Surface Area: 61.69 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: DMSO: soluble22 mg/mL
• Apperance: yellow solid

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 2
• Risk Statements: 36/37/38
• Safety Statements: 26-36
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves
• Storage Temperature: 2-8°C

Product Information

• Purity: ≥98% (HPLC)
• Empirical Formula (Hill Notation): C8H4Cl2N2O2

DETAILS

Sigma Aldrich - N8161

Biochem/physiol Actions
NS309 is a Ca2+-activated IK/SK potassium channel activator.
Caution
air sensitive