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Keracyanin chloride

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Keracyanin chloride

EINECS 242-528-6
CAS No. 18719-76-1 Density
Solubility Melting Point
Formula C27H31 O15 . Cl Boiling Point
Molecular Weight 631.03 Flash Point
Transport Information Appearance
Safety Moderately toxic by intraperitoneal route. Experimental reproductive effects. Mutation data reported. When heated to decomposition it emits toxic vapors of Cl. Risk Codes
Molecular Structure Molecular Structure of 18719-76-1 (Keracyanin chloride) Hazard Symbols
Synonyms

1-Benzopyrylium,3-[[6-O-(6-deoxy-a-L-mannopyranosyl)-b-D-glucopyranosyl]oxy]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-,chloride (9CI);Keracyanin (6CI,7CI,8CI);3-O-Rutinosylcyanidin;7,4'-Dihydroxyflavilium chloride;Antirrhinin;Cyanidin 3-rhamnoglucoside;Cyanidin 3-rhamnosylglucoside;Cyanidin 3-rutinoside;Cyanidol3-rhamnoglucoside;Cyaninoside;Meralop;Prunicyanin;Sambucin;

 

Keracyanin chloride Chemical Properties

IUPAC Name: (2S,3R,4S,5S,6R)-2-[2-(3,4-Dihydroxyphenyl)-5,7-dihydroxychromenylium-3-yl]oxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxane-3,4,5-triol chloride
CAS: 18719-76-1
EINECS: 242-528-6
Product Categories: Anthocyanins .
Following is the Molecular Structure of Keracyanin chloride (18719-76-1):

SMILES: [Cl-].O(C[C@H]4O[C@@H](Oc2cc3c(O)cc(O)cc3[o+]c2c1ccc(O)c(O)c1)[C@H](O)[C@@H](O)[C@@H]4O)[C@@H]5O[C@H]([C@H](O)[C@@H](O)[C@H]5O)C
InChI: InChI=1/C27H30O15.ClH/c1-9-19(32)21(34)23(36)26(39-9)38-8-18-20(33)22(35)24(37)27(42-18)41-17-7-12-14(30)5-11(28)6-16(12)40-25(17)10-2-3-13(29)15(31)4-10;/h2-7,9,18-24,26-27,32-37H,8H2,1H3,(H3-,28,29,30,31);1H/t9-,18+,19-,20+,21+,22-,23+,24+,26+,27+;/m0./s1
InChIKey: ADZHXBNWNZIHIX-XYGAWYNKBC
Std.InChI: InChI=1S/C27H30O15.ClH/c1-9-19(32)21(34)23(36)26(39-9)38-8-18-20(33)22(35)24(37)27(42-18)41-17-7-12-14(30)5-11(28)6-16(12)40-25(17)10-2-3-13(29)15(31)4-10;/h2-7,9,18-24,26-27,32-37H,8H2,1H3,(H3-,28,29,30,31);1H/t9-,18+,19-,20+,21+,22+,23+,24+,26+,27+;/m0./s1
Std.InChIKey: ADZHXBNWNZIHIX-XYGAWYNKSA-N
Molecular Formula: C27H31ClO15
Molecular Weight: 630.98

Keracyanin chloride Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 intraperitoneal 1900mg/kg (1900mg/kg)   United States Patent Document. Vol. #4229439,

Keracyanin chloride Safety Profile

WGK Germany: 3
RTECS: OA5007000
F: 10
Moderately toxic by intraperitoneal route. Experimental reproductive effects. Mutation data reported.

Keracyanin chloride Specification

 Keracyanin chloride (18719-76-1),which also can be called for Antirrhinin ; Cyanidin3-rhamnoglucoside ; Cyanidin-3-rhamnoglucosidechloride ; Cyanidin3-rhamnosylglucoside ; Cyanidin3-rutinoside ; Cyanidine3-rutinoside ; Cyanidol3-rhamnoglucoside ; Cyaninoside .When Keracyanin chloride (18719-76-1) was heated, after decomposition it emits toxic vapors of Cl− .It should be stored at -20℃.

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