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7084-24-4

Basic Information
CAS No.: 7084-24-4
Name: KUROMANIN CHLORIDE
Article Data: 6
Molecular Structure:
Molecular Structure of 7084-24-4 (KUROMANIN CHLORIDE)
Formula: C21H21O11.Cl
Molecular Weight: 484.844
Synonyms: 1-Benzopyrylium,2-(3,4-dihydroxyphenyl)-3-(b-D-glucopyranosyloxy)-5,7-dihydroxy-, chloride (9CI);Chrysanthemin(6CI,8CI);3,3',4',5,7-Pentahydroxyflavylium chloride, 3-glucoside;3-(b-D-Glucopyranosyloxy)-3',4',5,7-tetrahydroxyflavyliumchloride;3-O-(b-D-Glucopyranosyl)cyanidin;Asterin;Chrysontemin;Cyanidin 3-O-glucoside;Cyanidin 3-O-b-D-glucopyranoside;Cyanidin 3-O-b-glucopyranoside;Cyanidin3-glucoside;Cyanidin 3-monoglucoside;Cyanidin 3-b-D-glucopyranoside;Cyanidin 3-b-O-glucoside;Cyanidin 3-b-glucopyranoside;Cyanidin 3-b-glucoside;Cyanidol 3-glucoside;Glucocyanidin;Kuromanin;Kuromanine;
EINECS: 230-384-7
Safety: 24/25
PSA: 193.44000
LogP: -2.61400
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  • Acmec Kuromanin (chloride) 10mg

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    7084-24-4

    Acmec Kuromanin (chloride) 10mg

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  • CYANIDIN-3-O-GLUCOSIDE CHLORIDE, KuroManin chloride

  • Casno:

    7084-24-4

    CYANIDIN-3-O-GLUCOSIDE CHLORIDE, KuroManin chloride

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  • cyanidin-3-O-glucoside

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    7084-24-4

    cyanidin-3-O-glucoside

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Specification

The 1-Benzopyrylium,2-(3,4-dihydroxyphenyl)-3-(b-D-glucopyranosyloxy)-5,7-dihydroxy-, chloride (1:1), with CAS registry number 7084-24-4, has the systematic name of 2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromenium-3-yl β-D-glucopyranoside chloride. This chemical belongs to the following product category: Anthocyanins. This chemical should be stored at the temperature of −20°C. Its classification code is Drug / Therapeutic Agent.

Physical properties of 1-Benzopyrylium,2-(3,4-dihydroxyphenyl)-3-(b-D-glucopyranosyloxy)-5,7-dihydroxy-, chloride (1:1): (1)#H bond acceptors: 11; (2)#H bond donors: 8; (3)#Freely Rotating Bonds: 12; (4)Polar Surface Area: 105.44 Å2.

You can still convert the following datas into molecular structure:
(1)SMILES: [Cl-].O(c1c([o+]c2c(c1)c(O)cc(O)c2)c3ccc(O)c(O)c3)[C@@H]4O[C@@H]([C@@H](O)[C@H](O)[C@H]4O)CO
(2)InChI: InChI=1/C21H20O11.ClH/c22-7-16-17(27)18(28)19(29)21(32-16)31-15-6-10-12(25)4-9(23)5-14(10)30-20(15)8-1-2-11(24)13(26)3-8;/h1-6,16-19,21-22,27-29H,7H2,(H3-,23,24,25,26);1H/t16-,17-,18+,19-,21-;/m1./s1
(3)InChIKey: YTMNONATNXDQJF-UBNZBFALBB
(4)Std. InChI: InChI=1S/C21H20O11.ClH/c22-7-16-17(27)18(28)19(29)21(32-16)31-15-6-10-12(25)4-9(23)5-14(10)30-20(15)8-1-2-11(24)13(26)3-8;/h1-6,16-19,21-22,27-29H,7H2,(H3-,23,24,25,26);1H/t16-,17-,18+,19-,21-;/m1./s1
(5)Std. InChIKey: YTMNONATNXDQJF-UBNZBFALSA-N

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 intraperitoneal 2gm/kg (2000mg/kg)   United States Patent Document. Vol. #4229439,