Xanthydrol - ≥98% , CAS No.90-46-0

CAS: 90-46-0 Cat. No.: X106371 Peso molecular: 198.22 Beilstein Registry Number: 10395 Número EC: 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

Sinónimos

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

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, Protected from light

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 488184722
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488184722
• Sonrisas canónicas: 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
• Isómeros SMILES: C1=CC=C2C(=C1)C(C3=CC=CC=C3O2)O
• WGK Alemania: 3
• PubChem CID: 72861
• Peso molecular: 198.22
• Beilstein: 10395

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: 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
• Descripción: 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

Objetivos asociados (humanos)

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

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: methanol: soluble 50 mg/mL, slightly hazy
• Sensibilidad: Light sensitive.
• Punto de fusión (°C): 124-127°C
• Peso molecular: 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

Referencias

1. Zhou Jinsen, Liu Cimin, Chen Yong, Luo Xiaoyan, Deng Dongsheng.  (2022)  Determination of Urea in Swimming Pool Water Using High-Performance Liquid Chromatography with Online Postcolumn Derivatization by Xanthydrol.  JOURNAL OF CHROMATOGRAPHIC SCIENCE,  61  (4): (339-346).  [PMID:35357434] [10.1093/chromsci/bmac025]

2. Kai Zhou, Lorenzo Siroli, Francesca Patrignani, Yuanming Sun, Rosalba Lanciotti, Zhenlin Xu.  (2019)  Formation of Ethyl Carbamate during the Production Process of Cantonese Soy Sauce.  MOLECULES,  24  (8): (1474).  [PMID:30991675] [10.3390/molecules24081474]

3. Li Hang, Huamei Yang, Wenliang Ji.  (2024)  Determination of azodicarbonamide in flour samples using high-performance liquid chromatography–tandem mass spectrometry with xanthydrol pre-column derivatisation.  Food Additives and Contaminants Part A-Chemistry Analysis Control Exposure & Risk Assessment,      [PMID:39255369] [10.1080/19440049.2024.2400238]

4. Ruosi Fang, Shuhui Wu, Ting Xia, Jingjin Hu, Jiamin He, Gongnian Xiao.  (2025)  Regulation of ethyl carbamate during Huangjiu fermentation and quality changes by Btn2p.  LWT-FOOD SCIENCE AND TECHNOLOGY,      [PMID:] [10.1016/j.lwt.2025.118175]