Basic information
- Name:
1-Benzopyrylium,3-[[6-O-(6-deoxy-a-L-mannopyranosyl)-b-D-glucopyranosyl]oxy]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-,chloride (1:1)
- CAS No.:
18719-76-1
- Molecular Structure:
![Molecular Structure of 18719-76-1 (1-Benzopyrylium,3-[[6-O-(6-deoxy-a-L-mannopyranosyl)-b-D-glucopyranosyl]oxy]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-,chloride (1:1))](http://www.lookchem.com/300w/2010/0619/18719-76-1.jpg)
- Formula:
- C27H31 O15 . Cl
- Molecular Weight:
- 631.03
- Deleted CAS:
- 65941-77-7
- 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;
- Safety Description:
- Moderately toxic by intraperitoneal route. Experimental reproductive effects. Mutation data reported. When heated to decomposition it emits toxic vapors of Cl−. Details
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Chemistry
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 (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
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, |
Safety Profile
WGK Germany: 3
RTECS: OA5007000
F: 10
Moderately toxic by intraperitoneal route. Experimental reproductive effects. Mutation data reported.
Specification
Keracyanin (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 (18719-76-1) was heated, after decomposition it emits toxic vapors of Cl− .It should be stored at -20℃.