Guanethidine Sulfate - 10mM in Water , CAS No.60-02-6

CAS: 60-02-6 Cat. No.: G424993 Formule: C₂₀H₄₄N₈·H₂O₄S Poids moléculaire: 494.7 Numéro CE: 200-452-0 PubChem CID: 65328

GRADE & PURITY 10mM in Water

Synonyms

GUANETHIDINE SULFATE [USAN] | GUANETHIDINE SULFATE [WHO-DD] | SR-01000872643 | 1-(2-(azocan-1-yl)ethyl)guanidine hemisulfate | D02237 | NBJGGHFXCGHTNJ-UHFFFAOYSA-N | Azocine, 1-(2-guanidinoethyl)octahydro-, sulfate (2:1) | beta-1-Azacyclooctylethylguanidi

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Vue d’ensemble

Guanethidine is an antihypertensive drug that reduces the release of catecholamines, such as norepinephrine.

Specifications

Synonymes

GUANETHIDINE SULFATE [USAN] | GUANETHIDINE SULFATE [WHO-DD] | SR-01000872643 | 1-(2-(azocan-1-yl)ethyl)guanidine hemisulfate | D02237 | NBJGGHFXCGHTNJ-UHFFFAOYSA-N | Azocine, 1-(2-guanidinoethyl)octahydro-, sulfate (2:1) | beta-1-Azacyclooctylethylguanidi

Spécifications et pureté

10mM in Water

Conditions de stockage de stockage

Store at -80°C

Expédié en

Dry ice packs + Cold packs

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Noms et identifiants

Pubchem Sid

528764769

Sourires canoniques

C1CCCN(CCC1)CCN=C(N)N.C1CCCN(CCC1)CCN=C(N)N.OS(=O)(=O)O

IUPAC Name

2-[2-(azocan-1-yl)ethyl]guanidine;sulfuric acid

InChIKey

NBJGGHFXCGHTNJ-UHFFFAOYSA-N

INCHI

1S/2C10H22N4.H2O4S/c2*11-10(12)13-6-9-14-7-4-2-1-3-5-8-14;1-5(2,3)4/h2*1-9H2,(H4,11,12,13);(H2,1,2,3,4)

Isomères SMILES

C1CCCN(CCC1)CCN=C(N)N.C1CCCN(CCC1)CCN=C(N)N.OS(=O)(=O)O

RTECS

MF3240000

PubChem CID

65328

Poids moléculaire

494.7

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Classe Organic sulfuric acids and derivatives
      • Subclass Organic sulfuric acids

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Classe: Organic sulfuric acids and derivatives
• Subclass: Organic sulfuric acids
• Intermediate Tree Nodes: Not available
• Direct Parent: Organic sulfuric acids
• Alternative Parents: Trialkylamines Guanidines Propargyl-type 1,3-dipolar organic compounds Carboximidamides Azacyclic compounds Organopnictogen compounds Organic oxides Imines Hydrocarbon derivatives
• Molecular Framework: Not available
• Substituents: Sulfuric acid - Guanidine - Tertiary amine - Tertiary aliphatic amine - Carboximidamide - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organoheterocyclic compound - Azacycle - Organic oxide - Organopnictogen compound - Organonitrogen compound - Amine - Organic nitrogen compound - Imine - Organic oxygen compound - Hydrocarbon derivative - Aliphatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as organic sulfuric acids. These are organic compounds containing the sulfuric acid functional group, with the generic structure HOS(=O)(=O)OH.
• External Descriptors: organic sulfate salt

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

Cibles associées (non humaines)

Rattus norvegicus (775804 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mécanismes d'action

Propriétés chimiques et physiques

• Point de fusion (°C): 223-225° C
• Poids moléculaire: 494.700 g/mol
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 6
• Exact Mass: 494.336 Da
• Monoisotopic Mass: 494.336 Da
• Topological Polar Surface Area: 218.000 Ų
• Heavy Atom Count: 33
• Formal Charge: 0
• Complexity: 248.000
• 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: 3

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