W-9 hydrochloride - ≥98% , CAS No.69762-85-2

CAS: 69762-85-2 Cat. No.: W288269 Molecular Weight: 377.33 PubChem CID: 44118677

GRADE & PURITY ≥98%

Synonyms

SCHEMBL9897696 | HY-100913 | SR-01000597806 | Omega-9 hydrochloride | SR-01000597806-1 | N-(6-Aminohexyl)-5-chloro-2-naphthalenesulphonamide hydrochloride | FT-0629254 | 2-Naphthalenesulfonamide,N-(6-aminohexyl)-5-chloro-, hydrochloride (1:1) | EX-A7029 |

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

SCHEMBL9897696 | HY-100913 | SR-01000597806 | Omega-9 hydrochloride | SR-01000597806-1 | N-(6-Aminohexyl)-5-chloro-2-naphthalenesulphonamide hydrochloride | FT-0629254 | 2-Naphthalenesulfonamide, N-(6-aminohexyl)-5-chloro-, hydrochloride (1:1) | EX-A7029 |

Specifications & Purity

≥98%

Biochemical and Physiological Mechanisms

Calmodulin antagonist (inhibits calmodulin-activated PDE activity with an IC50of 72μM).

Storage

Room temperature

Shipped In

Normal

Action Type

ANTAGONIST

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 488200932
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488200932
• Canonical Smiles: C1=CC2=C(C=CC(=C2)S(=O)(=O)NCCCCCCN)C(=C1)Cl.Cl
• IUPAC Name: N-(6-aminohexyl)-5-chloronaphthalene-2-sulfonamide;hydrochloride
• InChIKey: FGWDLQXTCSKXSK-UHFFFAOYSA-N
• INCHI: 1S/C16H21ClN2O2S.ClH/c17-16-7-5-6-13-12-14(8-9-15(13)16)22(20,21)19-11-4-2-1-3-10-18;/h5-9,12,19H,1-4,10-11,18H2;1H
• Isomeric SMILES: C1=CC2=C(C=CC(=C2)S(=O)(=O)NCCCCCCN)C(=C1)Cl.Cl
• PubChem CID: 44118677
• Molecular Weight: 377.33

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Naphthalenes
      • Subclass Naphthalene sulfonic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Naphthalenes
• Subclass: Naphthalene sulfonic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: 2-naphthalene sulfonic acids and derivatives
• Alternative Parents: 2-naphthalene sulfonamides Chloronaphthalenes Organosulfonamides Aryl chlorides Aminosulfonyl compounds Organopnictogen compounds Organochlorides Organic zwitterions Organic oxides Organic chloride salts Monoalkylamines Hydrocarbon derivatives
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: 2-naphthalene sulfonamide - 2-naphthalene sulfonic acid or derivatives - Naphthalene sulfonamide - Chloronaphthalene - Aryl chloride - Aryl halide - Organosulfonic acid amide - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Aminosulfonyl compound - Amine - Organic zwitterion - Organic salt - Organic chloride salt - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Primary amine - Organosulfur compound - Organonitrogen compound - Organochloride - Organohalogen compound - Primary aliphatic amine - Organic oxygen compound - Organic nitrogen compound - Aromatic homopolycyclic compound
• Description: This compound belongs to the class of organic compounds known as 2-naphthalene sulfonic acids and derivatives. These are organic aromatic compounds that contain a naphthalene moiety that carries a sulfonic acid group (or a derivative thereof) at the 2-position. Naphthalene is a bicyclic compound that is made up of two fused benzene ring.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Solubility: Solvent:ethanol, Max Conc. mg/mL: None, Max Conc. mM: 25
• Molecular Weight: 377.300 g/mol
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 8
• Exact Mass: 376.078 Da
• Monoisotopic Mass: 376.078 Da
• Topological Polar Surface Area: 80.600 Ų
• Heavy Atom Count: 23
• Formal Charge: 0
• Complexity: 424.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 2

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