Introduction：Basic information about CAS 11013-97-1|Methyl hesperidin, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | Methyl hesperidin |
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| CAS Number | 11013-97-1 | Molecular Weight | 624.587 |
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| Density | 1.6±0.1 g/cm3 | Boiling Point | 900.4±65.0 °C at 760 mmHg |
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| Molecular Formula | C29H36O15 | Melting Point | / |
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| MSDS | USA | Flash Point | 293.0±27.8 °C |
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Names
| Name | methyl hesperidin |
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| Synonym | More Synonyms |
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Methyl hesperidin BiologicalActivity
| Description | Methyl-Hesperidin is a vasodilating agent[1]. |
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| Related Catalog | Signaling Pathways >>Others >>Others |
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| References | [1]. Kikuchi K, et al. The potentiation of the coronary dilating and the cardiac action of adenosine or adenine nucleotides by methylhesperidin. Jpn J Pharmacol. 1966 Jun;16(2):224-5. |
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Chemical & Physical Properties
| Density | 1.6±0.1 g/cm3 |
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| Boiling Point | 900.4±65.0 °C at 760 mmHg |
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| Molecular Formula | C29H36O15 |
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| Molecular Weight | 624.587 |
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| Flash Point | 293.0±27.8 °C |
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| Exact Mass | 624.205444 |
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| PSA | 223.29000 |
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| LogP | 2.55 |
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| Vapour Pressure | 0.0±0.3 mmHg at 25°C |
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| Index of Refraction | 1.668 |
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| InChIKey | GUMSHIGGVOJLBP-SLRPQMTOSA-N |
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| SMILES | COc1ccc(C2CC(=O)c3c(O)cc(OC4OC(COC5OC(C)C(O)C(O)C5O)C(O)C(O)C4O)cc3O2)cc1OC |
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| Storage condition | 2-8C |
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Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- DJ2979400
- CHEMICAL NAME :
- 4H-1-Benzopyran-4-one, 7-((6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-gluco pyranosyl) oxy)-2,3-dihydro-5-hydroxy-2-(3-hydroxy-4-methoxyphen yl)-, monomethyl ether
- CAS REGISTRY NUMBER :
- 11013-97-1
- LAST UPDATED :
- 199510
- DATA ITEMS CITED :
- 3
- MOLECULAR FORMULA :
- C29-H36-O15
- MOLECULAR WEIGHT :
- 624.65
- WISWESSER LINE NOTATION :
- T66 BO EVT&J CR CQ DO1& GO1 IO- BT6OTJ CQ DQ EQ F1O- BT6OTJ CQ DQ EQ F1
HEALTH HAZARD DATAACUTE TOXICITY DATA - TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intravenous
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 750 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- NYKZAU Nippon Yakurigaku Zasshi. Japanese Journal of Pharmacology. (Nippon Yakuri Gakkai, c/o Kyoto Daigaku Igakubu Yakurigaku Kyoshitsu, Konoe-cho, Yoshida, Sakyo-ku, Kyoto 606, Japan) V.40- 1944- Volume(issue)/page/year: 53,237S,1957 ** REPRODUCTIVE DATA **
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Oral
- DOSE :
- 52650 mg/kg
- SEX/DURATION :
- female 17-22 day(s) after conception lactating female 21 day(s) post-birth
- TOXIC EFFECTS :
- Reproductive - Effects on Newborn - physical
- REFERENCE :
- YACHDS Yakuri to Chiryo. Pharmacology and Therapeutics. (Raifu Saiensu Shuppan K.K., 2-5-13, Yaesu, Chuo-ku, Tokyo 104, Japan) V.1- 1972- Volume(issue)/page/year: 9,1395,1981
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Oral
- DOSE :
- 19500 mg/kg
- SEX/DURATION :
- female 6-15 day(s) after conception
- TOXIC EFFECTS :
- Reproductive - Specific Developmental Abnormalities - musculoskeletal system
- REFERENCE :
- YACHDS Yakuri to Chiryo. Pharmacology and Therapeutics. (Raifu Saiensu Shuppan K.K., 2-5-13, Yaesu, Chuo-ku, Tokyo 104, Japan) V.1- 1972- Volume(issue)/page/year: 9,1369,1981
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Safety Information
| RIDADR | 1479.0 |
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| Hazard Class | 5.1 |
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| HS Code | 29389090 |
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Synonyms
| Methyl hesperidin |
| Methyl hesperidine |
| (2S)-2-[3,4-bis(methyloxy)phenyl]-5-hydroxy-4-oxo-3,4-dihydro-2H-chromen-7-yl 6-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranoside |
| (2S)-2-(3,4-Dimethoxyphenyl)-5-hydroxy-4-oxo-3,4-dihydro-2H-chromen-7-yl 6-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranoside |
| 4H-1-Benzopyran-4-one, 7-[[6-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranosyl]oxy]-2-(3,4-dimethoxyphenyl)-2,3-dihydro-5-hydroxy-, (2S)- |
