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4825-86-9

4825-86-9 structure
4825-86-9 structure
  • Name: Ochratoxin B
  • Chemical Name: (2S)-2-[[(3R)-8-hydroxy-3-methyl-1-oxo-3,4-dihydroisochromene-7-carbonyl]amino]-3-phenylpropanoic acid
  • CAS Number: 4825-86-9
  • Molecular Formula: C20H19NO6
  • Molecular Weight: 369.368
  • Catalog: analytical chemistry Standard Food and cosmetics standards
  • Create Date: 2018-07-09 14:11:13
  • Modify Date: 2025-08-26 07:40:26
  • Ochratoxin B, a secondary metabolite of Aspergillus ochraceus, is the nonchlorinated analogue of the mycotoxin Ochratoxin A. Ochratoxin B has been shown to reduce the toxic effects of Ochratoxin A, and it is one of the most potent renal carcinogens in rodents[1][2].
Name (2S)-2-[[(3R)-8-hydroxy-3-methyl-1-oxo-3,4-dihydroisochromene-7-carbonyl]amino]-3-phenylpropanoic acid
Synonyms OCHRATOXIN B
Ochratoxin B solution
ochratoxin A
N-{[(3R)-8-hydroxy-3-methyl-1-oxo-3,4-dihydro-1H-isochromen-7-yl]-carbonyl}-L-phenylalanine
N-{[(3R)-8-Hydroxy-3-methyl-1-oxo-3,4-dihydro-1H-isochromen-7-yl]carbonyl}-L-phenylalanine
Alanine,N-((8-hydroxy-3-methyl-1-oxo-7-isochromanyl)carbonyl)-3-phenyl-,(-)
N-{[(3R)-8-hydroxy-3-methyl-1-oxo-7-isochromanyl]carbonyl}-3-phenyl-L-alanine
(R)-N-[(3,4-Dihydro-8-hydroxy-3-methyl-1-oxo-1H-2-benzopyran-7-yl)carboxyl]phenylalanine
L-Phenylalanine, N-[[(3R)-3,4-dihydro-8-hydroxy-3-methyl-1-oxo-1H-2-benzopyran-7-yl]carbonyl]-
L-Phenylalanine,N-((3,4-dihydro-8-hydroxy-3-methyl-1-oxo-1H-2-benzopyran-7-yl)carbonyl)-,(R)
Ochratoxin B(OTB)
Description Ochratoxin B, a secondary metabolite of Aspergillus ochraceus, is the nonchlorinated analogue of the mycotoxin Ochratoxin A. Ochratoxin B has been shown to reduce the toxic effects of Ochratoxin A, and it is one of the most potent renal carcinogens in rodents[1][2].
Related Catalog
References

[1]. Mally A, et al. Biotransformation and nephrotoxicity of ochratoxin B in rats. Toxicol Appl Pharmacol. 2005 Aug 1;206(1):43-53.

[2]. Størmer FC, et al. Metabolism of ochratoxin B and its possible effects upon the metabolism and toxicity of ochratoxin A in rats. Appl Environ Microbiol. 1985 May;49(5):1108-12.
Density 1.4±0.1 g/cm3
Boiling Point 632.4±55.0 °C at 760 mmHg
Melting Point 221ºC
Molecular Formula C20H19NO6
Molecular Weight 369.368
Flash Point 336.2±31.5 °C
Exact Mass 369.121246
PSA 112.93000
LogP 3.06
Vapour Pressure 0.0±2.0 mmHg at 25°C
Index of Refraction 1.623

CHEMICAL IDENTIFICATION

RTECS NUMBER :
AY6825000
CHEMICAL NAME :
Alanine, N-((8-hydroxy-3-methyl-1-oxo-7-isochromanyl)carbonyl) -3-phenyl-, (-)-
CAS REGISTRY NUMBER :
4825-86-9
LAST UPDATED :
199612
DATA ITEMS CITED :
2
MOLECULAR FORMULA :
C20-H19-N-O6
MOLECULAR WEIGHT :
369.40
WISWESSER LINE NOTATION :
T66 BVOT&J D1 IVMYVQ1R& JQ

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Bird - chicken
DOSE/DURATION :
54 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value

MUTATION DATA

TYPE OF TEST :
Cytogenetic analysis
TEST SYSTEM :
Primate - monkey Kidney
DOSE/DURATION :
20 mg/L
REFERENCE :
TXAPA9 Toxicology and Applied Pharmacology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1959- Volume(issue)/page/year: 32,198,1975
Symbol GHS02 GHS07
GHS02, GHS07
Signal Word Danger
Hazard Statements H225-H302-H312-H319-H332
Precautionary Statements P210-P280-P305 + P351 + P338
Hazard Codes Xn,T,F
Risk Phrases 22-36/37/38-65-48/23/24/25-36/38-11-46-45
Safety Phrases 26-36-45-16-53
RIDADR UN 3462 6.1/PG 3
WGK Germany 3
RTECS AY6825000
Packaging Group I
Hazard Class 6.1(a)
HS Code 39229000
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