7,8-Dimethylalloxazine - ≥95%(HPLC) , CAS No.1086-80-2

CAS: 1086-80-2 Cat. No.: D155167 Formula: C₁₂H₁₀N₄O₂ Molecular Weight: 242.24 EC Number: 214-120-8

GRADE & PURITY ≥95%(HPLC)

Synonyms

7,8-dimethyl-1H-benzo[g]pteridine-2,4-quinone | 99U1UDJ2HM | 113-59-7 (free base) | 7,8-dimethylbenzo[g]pteridine-2,4(3H,10H)-dione | LUM | 7,8-DIMETHYLBENZO(G)PTERIDINE-2,4-(1H,3H)-DIONE | 7,8-Dimethylbenzo(g)pteridine-2,4(1H,3H)-dione | 7,8-dimethyl-1H-

Storage

Room temperature

Shipped In

Normal

Overview

7,8-Dimethylalloxazine is a flourescent photoproduct of riboflavin degradation.

Specifications

Synonyms

7,8-dimethyl-1H-benzo[g]pteridine-2,4-quinone | 99U1UDJ2HM | 113-59-7 (free base) | 7,8-dimethylbenzo[g]pteridine-2,4(3H,10H)-dione | LUM | 7,8-DIMETHYLBENZO(G)PTERIDINE-2,4-(1H,3H)-DIONE | 7,8-Dimethylbenzo(g)pteridine-2,4(1H,3H)-dione | 7,8-dimethyl-1H-

Specifications & Purity

≥95%(HPLC)

Storage

Room temperature

Shipped In

Normal

Action Type

ACTIVATOR

Purity

≥95%(HPLC)

Names and Identifiers

Pubchem Sid

504763625

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504763625

Canonical Smiles

CC1=CC2=C(C=C1C)N=C3C(=N2)C(=O)NC(=O)N3

IUPAC Name

7,8-dimethyl-1H-benzo[g]pteridine-2,4-dione

InChIKey

ZJTJUVIJVLLGSP-UHFFFAOYSA-N

INCHI

1S/C12H10N4O2/c1-5-3-7-8(4-6(5)2)14-10-9(13-7)11(17)16-12(18)15-10/h3-4H,1-2H3,(H2,14,15,16,17,18)

Isomeric SMILES

CC1=CC2=C(C=C1C)N=C3C(=N2)C(=O)NC(=O)N3

Molecular Weight

242.24

Reaxy-Rn

226631

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=226631&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Pteridines and derivatives
      • Subclass Alloxazines and isoalloxazines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Pteridines and derivatives
• Subclass: Alloxazines and isoalloxazines
• Intermediate Tree Nodes: Not available
• Direct Parent: Flavins
• Alternative Parents: Quinoxalines Pyrimidones Pyrazines Benzenoids Vinylogous amides Heteroaromatic compounds Ureas Lactams Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Flavin - Diazanaphthalene - Quinoxaline - Pyrimidone - Pyrazine - Pyrimidine - Benzenoid - Vinylogous amide - Heteroaromatic compound - Lactam - Urea - Azacycle - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as flavins. These are compounds containing a flavin (7,8-dimethyl-benzo[g]pteridine-2,4-dione) moiety, with a structure characterized by an isoalloaxzine tricyclic ring.
• External Descriptors: a small molecule

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

Associated Targets(non-human)

Pseudomonas aeruginosa (123386 Activities)

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Klebsiella pneumoniae (43867 Activities)

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Staphylococcus aureus (210822 Activities)

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Acinetobacter baumannii (41033 Activities)

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Escherichia coli (133304 Activities)

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Cryptococcus neoformans (21258 Activities)

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Candida albicans (78123 Activities)

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Mechanisms of Action

Chemical and Physical Properties

• Molecular Weight: 242.230 g/mol
• XLogP3: 1.100
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 242.08 Da
• Monoisotopic Mass: 242.08 Da
• Topological Polar Surface Area: 84.000 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 386.000
• 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

Frequently Asked Questions

How should this product be stored?

Store at room temperature.

What is the purity of this product, and how is it determined?

This product is supplied at ≥95% purity, determined by HPLC. Lot-specific values are stated on the Certificate of Analysis.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 1086-80-2, the molecular formula is C12H10N4O2, and the molecular weight is 242.24 g/mol. InChIKey ZJTJUVIJVLLGSP-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.