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Substance Name: Cianidanol [INN:JAN]
RN: 154-23-4
UNII: 8R1V1STN48
InChIKey: PFTAWBLQPZVEMU-DZGCQCFKSA-N

Note

  • An antioxidant flavonoid, occurring especially in woody plants as both (+)-catechin and (-)-epicatechin (cis) forms.

Molecular Formula

  • C15-H14-O6

Molecular Weight

  • 290.2696
 

Classification Codes

  • Mutation Data
  • Reproductive Effect
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Names and Synonyms

Name of Substance

  • Catechin
  • Cianidanol [INN:JAN]

MeSH Heading

  • Catechin

Synonyms

  • (+)-(2R,3S)-5,7,3',4'-Tetrahydroxyflavan-3-ol
  • (+)-2-(3,4-Dihydroxyphenyl)-3,5,7-chromantriol
  • (+)-3',4',5,7-Tetrahydroxy-2,3-trans-flavan-3-ol
  • (+)-Catechin
  • (+)-Catechol
  • (+)-Cyanidan-3-ol
  • (+)-Cyanidanol
  • (2R,3S)-3,3',4',5,7-Flavanpentol
  • 2,3-Dihydro-4-desoxoquercetin
  • 3-Cyanidanol, (+)-
  • AI3-22757
  • Biocatechin
  • Catechin (flavan)
  • Catechinic acid
  • Catechol (flavan)
  • Catechuic acid
  • Catergen
  • CCRIS 6855
  • Cianidanol
  • Cianidanolum
  • Cianidanolum [INN-Latin]
  • Cianidol
  • Cyanidanol
  • Cyanidanol-3
  • D-(+)-Catechin
  • d-Catechin
  • D-Catechol
  • EINECS 205-825-1
  • KB 53
  • KB-53
  • NSC 2819
  • Transepar
  • UNII-8R1V1STN48
  • Z 7300
  • Zyma

Systematic Names

  • (+)-Catechol
  • 2H-1-Benzopyran-3,5,7-triol, 2-(3,4-dihydroxyphenyl)-3,4-dihydro-, (2R,3S)-
  • 2H-1-Benzopyran-3,5,7-triol, 2-(3,4-dihydroxyphenyl)-3,4-dihydro-, (2R-trans)-
  • Catechin
  • Cianidanol

Superlist Name

  • 2H-1-Benzopyran-3,5,7-triol, 2-(3,4-dihydroxyphenyl)-3,4-dihydro-, (2R-trans)-

Registry Numbers

CAS Registry Number

  • 154-23-4

FDA UNII

  • 8R1V1STN48

Other Registry Numbers

  • 159761-73-6
  • 16198-00-8
  • 321-01-7
  • 4211-28-3
  • 5323-80-8

System Generated Number

  • 0000154234

Structure Descriptors

InChI

1S/C15H14O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-5,13,15-20H,6H2/t13-,15+/m0/s1

InChIKey

PFTAWBLQPZVEMU-DZGCQCFKSA-N

Smiles

[C@H]1(c2cc(c(cc2)O)O)Oc2c(C[C@@H]1O)c(cc(c2)O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 68mg/kg (68mg/kg)   Toxicology. Vol. 62, Pg. 203, 1990.
mouse LD50 intravenous > 100mg/kg (100mg/kg)   Drugs in Japan Vol. -, Pg. 430, 1990.
mouse LD50 oral > 10gm/kg (10000mg/kg)   Drugs in Japan Vol. -, Pg. 430, 1990.
mouse LD50 subcutaneous > 5gm/kg (5000mg/kg)   Drugs in Japan Vol. -, Pg. 430, 1990.
rat LD50 intraperitoneal 1084mg/kg (1084mg/kg) LUNGS, THORAX, OR RESPIRATION: DYSPNEA Oyo Yakuri. Pharmacometrics. Vol. 24, Pg. 361, 1982.
rat LD50 intravenous > 100mg/kg (100mg/kg)   Drugs in Japan Vol. -, Pg. 430, 1990.
rat LD50 oral > 10gm/kg (10000mg/kg)   Drugs in Japan Vol. -, Pg. 430, 1990.
rat LD50 subcutaneous > 5gm/kg (5000mg/kg)   Drugs in Japan Vol. -, Pg. 430, 1990.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 214 deg C   EXP
log P (octanol-water) 0.51 (none)   EXP
Water Solubility 6.31E+04 mg/L 25 EST
Vapor Pressure 2.07E-12 mm Hg 25 EST
Henry's Law Constant 7.12E-26 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 2.27E-10 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.