CAS Number2009-24-7
Synonyms9-hydroxyfuro[3,2-g]chromen-7-one; 8-Hydroxypsoralen; T C566 DO LVOJ BQ; 8-Hydroxy-4':5',6:7-furocoumarin; 9-Hydroxy-7H-furo[3,2-g]chromen-7-one; Xanthotoxol; EINECS 217-923-1
Molecular FormulaC11H6O4
Molecular Weight202.16
Purity≥95.0 (HPLC)%
Density1.5±0.1 g/cm3
Boiling Point428.1±45.0 °C at 760 mmHg
Melting Point250ºC
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 2009-24-7 |
| Catalog No. | 2A-9067067 |
| Chinese Name | 花椒毒酚,花椒毒醇 |
| Synonyms | 9-hydroxyfuro[3,2-g]chromen-7-one; 8-Hydroxypsoralen; T C566 DO LVOJ BQ; 8-Hydroxy-4':5',6:7-furocoumarin; 9-Hydroxy-7H-furo[3,2-g]chromen-7-one; Xanthotoxol; EINECS 217-923-1 |
| Molecular Formula | C11H6O4 |
| Molecular Weight | 202.16 |
| Purity | ≥95.0 (HPLC) |
| Density | 1.5±0.1 g/cm3 |
| Boiling Point | 428.1±45.0 °C at 760 mmHg |
| Melting Point | 250ºC |
| Storage Condition | -20°C |
| Application | Xanthotoxol is a biologically active linear furanocoumarin with strong pharmacological activities, such as anti-inflammatory, antioxidant, 5-HT antagonism and neuroprotective effects. |
| HTC | 2932999099 |
| MDL Number | MFCD00017408 |
| SMILES | [o]1c2c(cc3c([o]cc3)c2O)cc[c]1=O |
| InChI | 1S/C11H6O4/c12-8-2-1-6-5-7-3-4-14-10(7)9(13)11(6)15-8/h1-5,13H |
| InChI Key | JWVYQQGERKEAHW-UHFFFAOYSA-N |
| NACRES Code | NA.24 |
| UNSPSC | 41116107 |
| MSDS | msds/67067_1_2009_24_7.pdf |
| Use of | Xanthotoxol is a biologically active linear furocoumarin, shows strong pharmacological activities as anti-inflammatory, antioxidant, 5-HT antagonistic, and neuroprotective effects. Properties Name Xanthotoxol Synonym More Synonyms Xanthotoxol Biological Activity Description Xanthotoxol is a biologically active linear furocoumarin, shows strong pharmacological activities as anti-inflammatory, antioxidant, 5-HT antagonistic, and neuroprotective effects. Related Catalog Signaling Pathways >> GPCR/G Protein >> 5-HT Receptor Signaling Pathways >> Neuronal Signaling >> 5-HT Receptor Natural Products >> Phenylpropanoids Research Areas >> Inflammation/Immunology Research Areas >> Neurological Disease References [1]. Ma Z, et al. Metabolism and Metabolic Inhibition of Xanthotoxol in Human Liver Microsomes. Evid Based Complement Alternat Med. 2016;2016:5416509. Chemical & Physical Properties Molecular Formula C11H6O4 Exact Mass 202.026611 PSA 63.58000 Index of Refraction 1.711 InChIKey JWVYQQGERKEAHW-UHFFFAOYSA-N Toxicological Information CHEMICAL IDENTIFICATION RTECS NUMBER : CHEMICAL NAME : 7H-Furo(3,2-g)(1)benzopyran-7-one, 9-hydroxy- CAS REGISTRY NUMBER : BEILSTEIN REFERENCE NO. : LAST UPDATED : DATA ITEMS CITED : MOLECULAR FORMULA : MOLECULAR WEIGHT : HEALTH HAZARD DATA ACUTE TOXICITY DATA TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : SPECIES OBSERVED : Rodent - rat DOSE/DURATION : TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : JOETD7 Journal of Ethnopharmacology. (Elsevier Scientific Pub. Ireland Ltd., POB 85, Limerick, Ireland) V.1- 1979- Volume(issue)/page/year: 36,239,1992 TYPE OF TEST : LD - Lethal dose ROUTE OF EXPOSURE : SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : JOETD7 Journal of Ethnopharmacology. (Elsevier Scientific Pub. Ireland Ltd., POB 85, Limerick, Ireland) V.1- 1979- Volume(issue)/page/year: 36,239,1992 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intraperitoneal SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : JOETD7 Journal of Ethnopharmacology. (Elsevier Scientific Pub. Ireland Ltd., POB 85, Limerick, Ireland) V.1- 1979- Volume(issue)/page/year: 36,239,1992 Safety Information Risk Phrases 25 Safety Phrases 20-45 RIDADR UN 2810 HS Code 2932999099 Synthetic Route Xanthotoxin Xanthotoxol Literature: Zhang, Bang-Le; Fan, Cheng-Qi; Dong, Lei; Wang, Fang-Dao; Yue, Jian-Min European Journal of Medicinal Chemistry, 2010 , vol. 45, # 11 p. 5258 - 5264 Imperatorin Xanthotoxol Literature: Marumoto, Shinsuke; Miyazawa, Mitsuo Bioorganic and Medicinal Chemistry, 2010 , vol. 18, # 1 p. 455 - 459 9-acetyl-7H-fur... 86290-70-2 Xanthotoxol Literature: He, Wei; Zhang, Bang-Le; Zhou, Si-Yuan; Sun, Xiao-Li; Zhang, Sheng-Yong Synthetic Communications, 2007 , vol. 37, # 3 p. 361 - 367 Precursor & DownStream Precursor 9 CAS#:298-81-7 Xanthotoxin CAS#:482-44-0 Imperatorin CAS#:86290-70-2 9-acetyl-7H-fur... CAS#:71612-25-4 8-Geranyloxypsoralen DownStream 10 CAS#:14348-23-3 4,9-dihydroxyfu... CAS#:482-44-0 Imperatorin CAS#:298-81-7 Xanthotoxin CAS#:68123-30-8 2,3-dihydro-9-h... |
| Tax Rebate | 13.0% |
| Supervision | None. MFN tariff: 6.5%. Ordinary tariff: 20.0% |
| Transport Info | Product name: Summary 2932999099. other heterocyclic compounds with oxygen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0% |
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