Robenidine Hydrochloride , CAS No.25875-50-7

CAS: 25875-50-7 Cat. No.: R336887 Formula: C₁₅H₁₃Cl₂N₅·HCl Peso molecolare: 370.66 Numero EC: 247-307-8 PubChem CID: 16212175

Synonyms

ROBENIDINE HYDROCHLORIDE [MART.] | GUANIDINE, 1,3-BIS((p-CHLOROBENZYLIDENE)AMINO)-, MONOHYDROCHLORIDE | Robenidine hydrochloride (USAN) | ROBENIDINE HYDROCHLORIDE [GREEN BOOK] | AKOS015900430 | FT-0640698 | MFCD01724404 | Robenidine hydrochloride, VETRANA

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Sinonimi

ROBENIDINE HYDROCHLORIDE [MART.] | GUANIDINE, 1,3-BIS((p-CHLOROBENZYLIDENE)AMINO)-, MONOHYDROCHLORIDE | Robenidine hydrochloride (USAN) | ROBENIDINE HYDROCHLORIDE [GREEN BOOK] | AKOS015900430 | FT-0640698 | MFCD01724404 | Robenidine hydrochloride, VETRANA

Condizioni di conservazione di stoccaggio

Store at 2-8°C

Spedito in

Wet ice

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Tipo di azione

INHIBITOR

Nomi e identificatori

Pubchem Sid

508812744

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/508812744

Sorrisi canonici

C1=CC(=CC=C1C=NNC(=NN=CC2=CC=C(C=C2)Cl)N)Cl.Cl

IUPAC Name

1,2-bis[(E)-(4-chlorophenyl)methylideneamino]guanidine;hydrochloride

InChIKey

LTWIBTYLSRDGHP-HCURTGQUSA-N

INCHI

1S/C15H13Cl2N5.ClH/c16-13-5-1-11(2-6-13)9-19-21-15(18)22-20-10-12-3-7-14(17)8-4-12;/h1-10H,(H3,18,21,22);1H/b19-9+,20-10+;

Isomeri SMILES

C1=CC(=CC=C1/C=N/N/C(=N/N=C/C2=CC=C(C=C2)Cl)/N)Cl.Cl

PubChem CID

16212175

Peso molecolare

370.66

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass Halobenzenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Halobenzenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Chlorobenzenes
• Alternative Parents: Aryl chlorides Hydrazidines Guanidines Primary aldimines Organochlorides Organic zwitterions Organic chloride salts Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Chlorobenzene - Aryl chloride - Aryl halide - Hydrazidine - Guanidine - Aldimine - Primary aldimine - Organic nitrogen compound - Organochloride - Organohalogen compound - Organonitrogen compound - Organic zwitterion - Organic salt - Carbonyl group - Organic chloride salt - Hydrocarbon derivative - Aromatic homomonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as chlorobenzenes. These are compounds containing one or more chlorine atoms attached to a benzene moiety.
• 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

Proprietà chimiche e fisiche

• Solubilità: Soluble in Acetone, Methanol (2:1) and DMSO
• Sensibilità: moisture sensitive
• Punto di fusione (°C): 252-254° C
• Peso molecolare: 370.700 g/mol
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 369.031 Da
• Monoisotopic Mass: 369.031 Da
• Topological Polar Surface Area: 75.100 Ų
• Heavy Atom Count: 23
• Formal Charge: 0
• Complexity: 408.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 3
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 3
• Covalently-Bonded Unit Count: 2

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