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11013-97-1

11013-97-1 structure
11013-97-1 structure

Name methyl hesperidin
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)-
Density 1.6±0.1 g/cm3
Boiling Point 900.4±65.0 °C at 760 mmHg
Molecular Formula C29H36O15
Molecular Weight 624.587
Flash Point 293.0±27.8 °C
Exact Mass 624.205444
PSA 223.29000
LogP 2.55
Vapour Pressure 0.0±0.3 mmHg at 25°C
Index of Refraction 1.668
Storage condition 2-8C

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 DATA

ACUTE 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
RIDADR 1479.0
Hazard Class 5.1
HS Code 29389090
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