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113443-70-2

113443-70-2 structure
113443-70-2 structure
  • Name: Rhein-8-glucoside calcium salt
  • Chemical Name: calcium,3-carboxy-9,10-dioxo-5-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]anthracene-1,8-diolate
  • CAS Number: 113443-70-2
  • Molecular Formula: C21H16CaO11
  • Molecular Weight: 484.423
  • Catalog: Signaling Pathways Anti-infection Bacterial
  • Create Date: 2019-01-29 17:27:18
  • Modify Date: 2024-01-12 18:19:20
  • Rhein-8-glucoside calcium, an anthraquinone compound, is isolated from the EtOH extract of the roots of Saussurea lappa. Rhein-8-glucoside calcium is an hPTP1B inhibitor, with an IC50 of 11.5 μM. Rhein-8-glucoside calcium has antibacterial effects[1][2].

Name calcium,3-carboxy-9,10-dioxo-5-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]anthracene-1,8-diolate
Synonyms Glucorein
Calcium (1S)-1,5-anhydro-1-(7-carboxylato-5-hydroxy-4-oxido-9,10-dioxo-9,10-dihydro-1-anthracenyl)-D-glucitol
Glucorhein
Rhein-8-glucoside calcium salt
D-Glucitol, 1,5-anhydro-1-C-(7-carboxy-9,10-dihydro-4,5-dihydroxy-9,10-dioxo-1-anthracenyl)-, calcium salt, (1S)- (1:1)
Rhein-8-O-Beta-D-glucopyranoside
8-Glucosylrhein
Boiling Point 834.5ºC at 760mmHg
Molecular Formula C21H16CaO11
Molecular Weight 484.423
Flash Point 296.4ºC
Exact Mass 484.031860
PSA 207.71000
Vapour Pressure 1.54E-29mmHg at 25°C
Storage condition 2-8℃

CHEMICAL IDENTIFICATION

RTECS NUMBER :
CB8782000
CHEMICAL NAME :
2-Anthroic acid, 9,10-dihydro-9,10-dioxo-5-beta-D-glucopyranosyloxy-4- hydroxy-, calcium salt
CAS REGISTRY NUMBER :
113443-70-2
LAST UPDATED :
199109
DATA ITEMS CITED :
2
MOLECULAR FORMULA :
C21-H17-O11.Ca
MOLECULAR WEIGHT :
485.46

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
>5 gm/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
PHTOEH Pharmacology and Toxicology (Copenhagen). (Munksgaard International Pub., POB 2148, DK-1016 Copenhagen K, Denmark) V.60- 1987- Volume(issue)/page/year: 61,153,1987
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
400 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
PHTOEH Pharmacology and Toxicology (Copenhagen). (Munksgaard International Pub., POB 2148, DK-1016 Copenhagen K, Denmark) V.60- 1987- Volume(issue)/page/year: 61,153,1987