Vasicinone - ≥98% , CAS No.486-64-6

CAS: 486-64-6 Cat. No.: V334596 Peso molecular: 202.2 Número EC: 683-100-2 PubChem CID: 442935

GRADE & PURITY ≥98%

Synonyms

(3S)-3-hydroxy-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one | E80802 | (3R)-3-hydroxy-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one | AKOS030485960 | G6T5819NXM | XV164987 | 3-hydroxy-2,3-dihydropyrrolo[2,1-b]quinazolin-9(1H)-one | CHEBI:9936 | Q15427947

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Sinónimos

(3S)-3-hydroxy-2, 3-dihydro-1H-pyrrolo[2, 1-b]quinazolin-9-one | E80802 | (3R)-3-hydroxy-2, 3-dihydro-1H-pyrrolo[2, 1-b]quinazolin-9-one | AKOS030485960 | G6T5819NXM | XV164987 | 3-hydroxy-2, 3-dihydropyrrolo[2, 1-b]quinazolin-9(1H)-one | CHEBI:9936 | Q15427947

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Store at -20°C

Enviado en

Ice chest + Ice pads

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 528776659
• Sonrisas canónicas: C1CN2C(=NC3=CC=CC=C3C2=O)C1O
• IUPAC Name: (3S)-3-hydroxy-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one
• InChIKey: SDIVYZXRQHWCKF-VIFPVBQESA-N
• INCHI: 1S/C11H10N2O2/c14-9-5-6-13-10(9)12-8-4-2-1-3-7(8)11(13)15/h1-4,9,14H,5-6H2/t9-/m0/s1
• Isómeros SMILES: C1CN2C(=NC3=CC=CC=C3C2=O)[C@H]1O
• PubChem CID: 442935
• Peso molecular: 202.2

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Diazanaphthalenes
      • Subclass Benzodiazines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Diazanaphthalenes
• Subclass: Benzodiazines
• Intermediate Tree Nodes: Not available
• Direct Parent: Quinazolines
• Alternative Parents: Pyrimidones Benzenoids Heteroaromatic compounds Secondary alcohols Lactams Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Quinazoline - Pyrimidone - Pyrimidine - Benzenoid - Heteroaromatic compound - Lactam - Secondary alcohol - Azacycle - Alcohol - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as quinazolines. These are compounds containing a quinazoline moiety, which is made up of two fused six-member aromatic rings, a benzene ring and a pyrimidine ring.
• External Descriptors: Quinazoline alkaloids

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

Objetivos asociados (humanos)

HL-60 (67320 Activities)

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PC-3 (62116 Activities)

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Mecanismos de acción

Propiedades químicas y físicas

• Peso molecular: 202.210 g/mol
• XLogP3: 0.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 202.074 Da
• Monoisotopic Mass: 202.074 Da
• Topological Polar Surface Area: 52.900 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 327.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 1
• 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