Cariporide Mesylate , CAS No.159138-81-5

CAS: 159138-81-5 Cat. No.: C1322219 Formula: C₁₃H₂₁N₃O₆S₂ Peso molecolare: 379.5 Numero EC: 690-706-0

Storage

Room temperature

Shipped In

Normal

Specifications

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Tipo di azione

MODULATOR

Nomi e identificatori

Sorrisi canonici

CC(C)C1=C(C=C(C=C1)C(=O)N=C(N)N)S(=O)(=O)C.CS(=O)(=O)O

IUPAC Name

N-(diaminomethylidene)-3-methylsulfonyl-4-propan-2-ylbenzamide;methanesulfonic acid

InChIKey

FNDLQABGYJQJPH-UHFFFAOYSA-N

INCHI

1S/C12H17N3O3S.CH4O3S/c1-7(2)9-5-4-8(11(16)15-12(13)14)6-10(9)19(3,17)18;1-5(2,3)4/h4-7H,1-3H3,(H4,13,14,15,16);1H3,(H,2,3,4)

Peso molecolare

379.5

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Classe Prenol lipids
      • Subclass Monoterpenoids

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Classe: Prenol lipids
• Subclass: Monoterpenoids
• Intermediate Tree Nodes: Not available
• Direct Parent: Aromatic monoterpenoids
• Alternative Parents: Monocyclic monoterpenoids Phenylpropanes Cumenes Benzoic acids and derivatives Benzenesulfonyl compounds Benzoyl derivatives Acylguanidines Sulfones Propargyl-type 1,3-dipolar organic compounds Carboxylic acids and derivatives Carboximidamides Organopnictogen compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Not available
• Substituents: P-cymene - Aromatic monoterpenoid - Monocyclic monoterpenoid - Benzenesulfonyl group - Benzoic acid or derivatives - Cumene - Phenylpropane - Benzoyl - Acylguanidine - Monocyclic benzene moiety - Benzenoid - Sulfonyl - Sulfone - Guanidine - Organic 1,3-dipolar compound - Carboxylic acid derivative - Propargyl-type 1,3-dipolar organic compound - Carboximidamide - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organosulfur compound - Organonitrogen compound - Organooxygen compound - Aromatic homomonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as aromatic monoterpenoids. These are monoterpenoids containing at least one aromatic 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

Proprietà chimiche e fisiche

• Peso molecolare: 379.500 g/mol
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 3
• Exact Mass: 379.087 Da
• Monoisotopic Mass: 379.087 Da
• Topological Polar Surface Area: 187.000 Ų
• Heavy Atom Count: 24
• Formal Charge: 0
• Complexity: 554.000
• 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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