8,10-dimethoxy-1,1,10b-trimethyl-5H-oxazolo[4,3-a]phthalazine-3,6-dione - ≥97% , CAS No.728025-45-4

CAS: 728025-45-4 Cat. No.: D681421 Molecular Weight: 306.31 PubChem CID: 5298198

GRADE & PURITY ≥97%

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Specifications & Purity

≥97%

Storage

Store at 2-8°C

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥97%

Product Properties

• ALogP: 1.4

Names and Identifiers

• Canonical Smiles: CC1(C2(C3=C(C=C(C=C3OC)OC)C(=O)NN2C(=O)O1)C)C
• InChIKey: RPANMCXGIIAAQA-UHFFFAOYSA-N
• INCHI: 1S/C15H18N2O5/c1-14(2)15(3)11-9(6-8(20-4)7-10(11)21-5)12(18)16-17(15)13(19)22-14/h6-7H,1-5H3,(H,16,18)
• Isomeric SMILES: CC1(C2(C3=C(C=C(C=C3OC)OC)C(=O)NN2C(=O)O1)C)C
• PubChem CID: 5298198
• Molecular Weight: 306.31

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Diazanaphthalenes
      • Subclass Benzodiazines
        • Level5 Phthalazines
          • Level6 Phthalazinones

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Diazanaphthalenes
• Subclass: Benzodiazines
• Intermediate Tree Nodes: Phthalazines
• Direct Parent: Phthalazinones
• Alternative Parents: Anisoles Alkyl aryl ethers Oxazolidinones Carboxylic acid hydrazides Oxacyclic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Phthalazinone - Anisole - Alkyl aryl ether - Oxazolidinone - Benzenoid - Oxazolidine - Carboxylic acid hydrazide - Oxacycle - Ether - Carboxylic acid derivative - Azacycle - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Carbonyl group - Organic oxygen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as phthalazinones. These are compounds containing a phthalazine bearing a ketone 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