Xanthydrol - ≥98% , CAS No.90-46-0

CAS: 90-46-0 Cat. No.: X106371 Formula: C₁₃H₁₀O₂ Molecular Weight: 198.22 Beilstein Registry Number: 10395 EC Number: 201-996-1 PubChem CID: 72861

GRADE & PURITY ≥98%

Synonyms

H-9000 | Mephenamin forte | Xanthen-9-ol | 9-Hydroxyxanthene | AKOS000120607 | xanthydrol ; 9-Hydroxyxanthene | X0055 | EINECS 201-996-1 | 9-Xanthenol | 9-Xanthydrol | AI3-01536 | MFCD00005057 | Xanthydrol | FT-0621674 | WLN: T C666 BO IVJ EG D1- AT6N DOT

Storage

Store at 2-8°C,Protected from light

Shipped In

Wet ice

Specifications

Synonyms

H-9000 | Mephenamin forte | Xanthen-9-ol | 9-Hydroxyxanthene | AKOS000120607 | xanthydrol ; 9-Hydroxyxanthene | X0055 | EINECS 201-996-1 | 9-Xanthenol | 9-Xanthydrol | AI3-01536 | MFCD00005057 | Xanthydrol | FT-0621674 | WLN: T C666 BO IVJ EG D1- AT6N DOT

Specifications & Purity

≥98%

Storage

Store at 2-8°C,Protected from light

Shipped In

Wet ice

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

Purity

≥98%

Names and Identifiers

Pubchem Sid

488184722

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488184722

Canonical Smiles

C1=CC=C2C(=C1)C(C3=CC=CC=C3O2)O

IUPAC Name

9H-xanthen-9-ol

InChIKey

JFRMYMMIJXLMBB-UHFFFAOYSA-N

INCHI

1S/C13H10O2/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1-8,13-14H

Isomeric SMILES

C1=CC=C2C(=C1)C(C3=CC=CC=C3O2)O

WGK Germany

3

PubChem CID

72861

Molecular Weight

198.22

Beilstein

10395

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Benzopyrans
      • Subclass 1-benzopyrans
        • Level5 Dibenzopyrans
          • Level6 Xanthenes

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Benzopyrans
• Subclass: 1-benzopyrans
• Intermediate Tree Nodes: Dibenzopyrans
• Direct Parent: Xanthenes
• Alternative Parents: Diarylethers Benzenoids Secondary alcohols Oxacyclic compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Xanthene - Diaryl ether - Benzenoid - Secondary alcohol - Oxacycle - Ether - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Alcohol - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as xanthenes. These are polycyclic aromatic compounds containing a xanthene moiety, which consists of two benzene rings joined to each other by a pyran ring.
• 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

Associated Targets(Human)

MAOB Tclin Amine oxidase [flavin-containing] B (0 Activities)

Discover Target: MAOB

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

MAOA Tclin Amine oxidase [flavin-containing] A (0 Activities)

Discover Target: MAOA

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

MAOA Tclin Monoamine oxidase A (11911 Activities)

Discover Target: MAOA

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

MAOB Tclin Monoamine oxidase B (8835 Activities)

Discover Target: MAOB

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Chemical and Physical Properties

• Solubility: methanol: soluble 50 mg/mL, slightly hazy
• Sensitivity: Light sensitive.
• Melt Point(°C): 124-127°C
• Molecular Weight: 198.220 g/mol
• XLogP3: 1.900
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 198.068 Da
• Monoisotopic Mass: 198.068 Da
• Topological Polar Surface Area: 29.500 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 207.000
• 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

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at 2–8 °C, protected from light. The material is light-sensitive — keep it in its original opaque or amber container.

How is this product shipped?

This product ships chilled on wet ice. Unpack on arrival and transfer it to the storage condition stated above.

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

The CAS Number is 90-46-0, the molecular formula is C13H10O2, and the molecular weight is 198.22 g/mol. InChIKey JFRMYMMIJXLMBB-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.