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Substance Name: Keracyanin [INN:DCF]
RN: 18719-76-1
UNII: V0N2VMB4FV
InChIKey: ADZHXBNWNZIHIX-XYGAWYNKSA-N

Classification Codes

  • Mutation Data
  • Reproductive Effect

Molecular Formulas

  • C27-H31-Cl-O15
  • C27-H31-O15.Cl

Molecular Weight

  • 630.98
 
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Names and Synonyms

Name of Substance

  • Keracyanin
  • Keracyanin [INN:DCF]

Synonyms

  • 3-O-Rutinosylcyanidin
  • 7,4'-Dihydroxyflavilium chloride
  • Antirrhinin
  • CCRIS 1960
  • Cyanidin 3-O-rutinoside
  • Cyanidin 3-O-rutinoside chloride
  • Cyanidin 3-rhamnoglucoside
  • Cyanidin 3-rhamnosylglucoside
  • Cyanidin 3-rutinoside
  • Cyanidin-3-rhamnoglucoside chloride
  • Cyanidine 3-rutinoside
  • Cyanidol 3-rhamnoglucoside
  • Cyaninoside
  • EINECS 242-528-6
  • Keraciannai
  • Keraciannai [INN-Spanish]
  • Keracyanin
  • Keracyanine
  • Keracyanine [INN-French]
  • Keracyaninum
  • Keracyaninum [INN-Latin]
  • Meralop
  • Prunicyanin
  • Rutinosyl-3-cyanidine
  • Sambucin
  • UNII-V0N2VMB4FV

Systematic Names

  • 1-Benzopyrylium, 3-((6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl)oxy)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-, chloride
  • 3-((6-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyran osyl)oxy)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-1- benzopyrylium, chloride
  • 3-((6-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl)oxy)-3',4',5,7-tetrahydroxyflavylium chloride
  • Keracyanin

Registry Numbers

CAS Registry Number

  • 18719-76-1

FDA UNII

  • V0N2VMB4FV

Other Registry Numbers

  • 1329-47-1
  • 141914-92-3
  • 16067-08-6
  • 27661-63-8
  • 28603-07-8
  • 29894-06-2
  • 31921-38-7
  • 31939-23-8
  • 52918-66-8
  • 64577-68-0
  • 65941-77-7

System Generated Number

  • 0018719761

Molecular Formulas

Molecular Formulas

  • C27-H31-Cl-O15
  • C27-H31-O15.Cl

Molecular Formula Fragments

  • C27-H31-O15
  • Cl
  • COMPONENT

Structure Descriptors

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

InChIKey

ADZHXBNWNZIHIX-XYGAWYNKSA-N

Smiles

[ClH-].c1(c(cc2c(cc(cc2[o+]1)O)O)O[C@@H]1O[C@H](CO[C@H]2[C@@H]([C@@H]([C@@H](O)[C@@H](O2)C)O)O)[C@@H](O)[C@@H]([C@H]1O)O)c1cc(c(O)cc1)O

Toxicity

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