CAS 4825-86-9|Ochratoxin B

Introduction：Basic information about CAS 4825-86-9|Ochratoxin B, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.

Table of Contents

1. Names
2. Ochratoxin B BiologicalActivity
3. Chemical & Physical Properties
4. Toxicological Information
CHEMICAL IDENTIFICATION
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
MUTATION DATA
5. Safety Information
6. Articles29
7. Synonyms

Common Name	Ochratoxin B
CAS Number	4825-86-9	Molecular Weight	369.368
Density	1.4±0.1 g/cm3	Boiling Point	632.4±55.0 °C at 760 mmHg
Molecular Formula	C₂₀H₁₉NO₆	Melting Point	221ºC
MSDS	USA	Flash Point	336.2±31.5 °C
Symbol	GHS02, GHS07	Signal Word	Danger

Names

Name	(2S)-2-[[(3R)-8-hydroxy-3-methyl-1-oxo-3,4-dihydroisochromene-7-carbonyl]amino]-3-phenylpropanoic acid
Synonym	More Synonyms

Ochratoxin B BiologicalActivity

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	Research Areas >>CancerSignaling Pathways >>Others >>Others
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.

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

Research Areas >>CancerSignaling Pathways >>Others >>Others

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.

Chemical & Physical Properties

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
InChIKey	DAEYIVCTQUFNTM-ABAIWWIYSA-N
SMILES	CC1Cc2ccc(C(=O)NC(Cc3ccccc3)C(=O)O)c(O)c2C(=O)O1

Toxicological Information

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

Safety Information

Symbol	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

Articles29

Wavelength-dependent degradation of ochratoxin and citrinin by light in vitro and in vivo and its implications on Penicillium.

Toxins (Basel.) 4(12) , 1535-51, (2012)

It has previously been shown that the biosynthesis of the mycotoxins ochratoxin A and B and of citrinin by Penicillium is regulated by light. However, not only the biosynthesis of these mycotoxins, bu...

Determination of ochratoxin A in wine by means of immunoaffinity column clean-up and high-performance liquid chromatography.

J. Chromatogr. A. 864(1) , 89-101, (1999)

A new and accurate method to quantify ochratoxin A (OA) in table wine has been developed. The method uses commercial immunoaffinity columns for clean-up and high-performance liquid chromatography (HPL...

Determination of ochratoxin A in grains by immuno-ultrafiltration and HPLC-fluorescence detection after postcolumn derivatisation in an electrochemical cell.

Anal. Bioanal. Chem 400(8) , 2615-22, (2011)

The paper presents a new sample clean-up method based on immuno-ultrafiltration for the analysis of ochratoxin A in cereals. In contrast to immunoaffinity chromatography, in immuno-ultrafiltration, th...

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)

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