NSC 102533 - ≥98% , CAS No.1150-59-0

CAS: 1150-59-0 Cat. No.: N412285 분자식: C₁₆H₁₀O₃ 분자량: 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

개요

Information

NSC 102533 is a bioactive compound.

Specifications

동의어

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 |

사양 및 순도

≥98%

생화학 및 생리적 메커니즘

NSC 102533 is a bioactive compound.

보관 조건

Store at -20°C

배송

Ice chest + Ice pads

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작업 유형

INHIBITOR

순수함

≥98%

이름과 식별자

Pubchem Sid

528766319

정식 스마일

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

이성체 SMILES

C1=CC=C(C=C1)C2=C(C3=CC=CC=C3C(=O)C2=O)O

PubChem CID

265893

분자량

250.25

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 분류: 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
• 설명: 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

화학 및 물리적 특성

• 분자량: 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