Buramate - Moligand™,≥98% , CAS No.4663-83-6

CAS: 4663-83-6 Cat. No.: B354982 Formule: C10H13NO3 Poids moléculaire: 195.22

GRADE & PURITY Moligand™, ≥98%

Synonyms

Benzylurethane du glycol | BURAMATE [INN] | BURAMATE [MI] | AKOS006272292 | HY-116826 | Q9HDA6U6V4 | AC 601 | 2-Hydroxyethyl N-benzylcarbamate | Buramatum | DTXSID70196888 | SR-01000944202 | AB01563075_01 | SR-01000944202-1 | Benzylcarbamic acid 2-hydroxy

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Vue d’ensemble

Buramate exhibits neuroprotective and anticonvulsant activities.

Specifications

Synonymes

Benzylurethane du glycol | BURAMATE [INN] | BURAMATE [MI] | AKOS006272292 | HY-116826 | Q9HDA6U6V4 | AC 601 | 2-Hydroxyethyl N-benzylcarbamate | Buramatum | DTXSID70196888 | SR-01000944202 | AB01563075_01 | SR-01000944202-1 | Benzylcarbamic acid 2-hydroxy

Spécifications et pureté

Moligand™,≥98%

Conditions de stockage de stockage

Store at -20°C

Expédié en

Ice chest + Ice pads

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

Grade

Moligand™

Pureté

≥98%

Noms et identifiants

• Sourires canoniques: C1=CC=C(C=C1)CNC(=O)OCCO
• IUPAC Name: 2-hydroxyethyl N-benzylcarbamate
• InChIKey: YFLRYAVDPKONNX-UHFFFAOYSA-N
• INCHI: 1S/C10H13NO3/c12-6-7-14-10(13)11-8-9-4-2-1-3-5-9/h1-5,12H,6-8H2,(H,11,13)
• Isomères SMILES: C1=CC=C(C=C1)CNC(=O)OCCO
• Poids moléculaire: 195.22
• Reaxy-Rn: 2838813
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2838813&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzene and substituted derivatives
• Alternative Parents: Carbamate esters Organic carbonic acids and derivatives Primary alcohols Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Monocyclic benzene moiety - Carbamic acid ester - Carbonic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Primary alcohol - Organooxygen compound - Organonitrogen compound - Carbonyl group - Alcohol - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as benzene and substituted derivatives. These are aromatic compounds containing one monocyclic ring system consisting of benzene.
• 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

Cibles associées (non humaines)

Hdac6 Histone deacetylase 6 (222 Activities)

Discover Target: Hdac6

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

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

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

Mécanismes d'action

Propriétés chimiques et physiques

• Poids moléculaire: 195.210 g/mol
• XLogP3: 0.800
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 195.09 Da
• Monoisotopic Mass: 195.09 Da
• Topological Polar Surface Area: 58.600 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 167.000
• 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: 1