NSC 102533 - ≥98% , CAS No.1150-59-0

CAS: 1150-59-0 Cat. No.: N412285 Formule: C₁₆H₁₀O₃ Poids moléculaire: 250.25 PubChem CID: 265893

GRADE & PURITY ≥98%

Synonyms

Antimalarial agent 14 | N17074 | 4-hydroxy-3-phenylnaphthalene-1,2-dione | 1,4-Naphthalenedione, 2-hydroxy-3-phenyl- | 2-Hydroxy-3-phenyl-1,4-naphthoquinone | 4-Hydroxy-3-phenyl-naphthalene-1,2-dione;NSC102533 | Oprea1_075833 | Oprea1_291473 | HY-114197 |

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Vue d’ensemble

Information

NSC 102533 is a bioactive compound.

Specifications

Synonymes

Antimalarial agent 14 | N17074 | 4-hydroxy-3-phenylnaphthalene-1,2-dione | 1,4-Naphthalenedione, 2-hydroxy-3-phenyl- | 2-Hydroxy-3-phenyl-1,4-naphthoquinone | 4-Hydroxy-3-phenyl-naphthalene-1,2-dione;NSC102533 | Oprea1_075833 | Oprea1_291473 | HY-114197 |

Spécifications et pureté

≥98%

Mécanismes biochimiques et physiologiques

NSC 102533 is a bioactive compound.

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.

Type d'action

INHIBITOR

Pureté

≥98%

Noms et identifiants

• Pubchem Sid: 528766319
• Sourires canoniques: C1=CC=C(C=C1)C2=C(C3=CC=CC=C3C(=O)C2=O)O
• IUPAC Name: 4-hydroxy-3-phenylnaphthalene-1,2-dione
• InChIKey: HCKUADBGJIXWTR-UHFFFAOYSA-N
• INCHI: 1S/C16H10O3/c17-14-11-8-4-5-9-12(11)15(18)16(19)13(14)10-6-2-1-3-7-10/h1-9,17H
• Isomères SMILES: C1=CC=C(C=C1)C2=C(C3=CC=CC=C3C(=O)C2=O)O
• PubChem CID: 265893
• Poids moléculaire: 250.25

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Naphthalenes
      • Subclass Phenylnaphthalenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Naphthalenes
• Subclass: Phenylnaphthalenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylnaphthalenes
• Alternative Parents: Naphthoquinones Naphthols and derivatives Quinones Aryl ketones Benzene and substituted derivatives Vinylogous acids Enols Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Phenylnaphthalene - Naphthoquinone - 1-naphthol - Aryl ketone - Quinone - Monocyclic benzene moiety - Vinylogous acid - Ketone - Cyclic ketone - Enol - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organic oxygen compound - Aromatic homopolycyclic compound
• Description: This compound belongs to the class of organic compounds known as phenylnaphthalenes. These are compounds containing a phenylnaphthalene skeleton, which consists of a naphthalene bound to a phenyl group.
• 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

Propriétés chimiques et physiques

• Poids moléculaire: 250.250 g/mol
• XLogP3: 2.500
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 250.063 Da
• Monoisotopic Mass: 250.063 Da
• Topological Polar Surface Area: 54.400 Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 429.000
• 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