Ochratoxin C
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Category | Mycotoxins |
Catalog number | BBF-04439 |
CAS | 4865-85-4 |
Molecular Weight | 431.87 |
Molecular Formula | C22H22ClNO6 |
Purity | >95% by HPLC |
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Description
A minor component of the ochratoxin complex produced by Aspergillus orchraceus and penicillium sp. It is a mycotoxin associated with food spoilage. It is the ethyl ester of ochratoxin A and represents a different hazard to the acidic major components ochratoxins A and B.
Specification
Synonyms | Ochratoxin A ethyl ester; ethyl ((R)-5-chloro-8-hydroxy-3-methyl-1-oxoisochromane-7-carbonyl)-L-phenylalaninate; L-Phenylalanine, N-((5-chloro-3,4-dihydro-8-hydroxy-3-methyl-1-oxo-1H-2-benzopyran-7-yl)carbonyl)-, ethyl ester, (R)-; N-[[(3R)-5-chloro-3,4-dihydro-8-hydroxy-3-methyl-1-oxo-1H-2-benzopyran-7-yl]carbonyl]-L-phenylalanine, ethyl ester |
Storage | Store at -20°C |
IUPAC Name | ethyl (2S)-2-[[(3R)-5-chloro-8-hydroxy-3-methyl-1-oxo-3,4-dihydroisochromene-7-carbonyl]amino]-3-phenylpropanoate |
Canonical SMILES | CCOC(=O)C(CC1=CC=CC=C1)NC(=O)C2=CC(=C3CC(OC(=O)C3=C2O)C)Cl |
InChI | InChI=1S/C22H22ClNO6/c1-3-29-21(27)17(10-13-7-5-4-6-8-13)24-20(26)15-11-16(23)14-9-12(2)30-22(28)18(14)19(15)25/h4-8,11-12,17,25H,3,9-10H2,1-2H3,(H,24,26)/t12-,17+/m1/s1 |
InChI Key | BPZZWRPHVVDAPT-PXAZEXFGSA-N |
Source | Aspergillus sp. |
Properties
Appearance | Off-white Solid |
Boiling Point | 612.6±55.0°C (Predicted) |
Density | 1.328±0.06 g/cm3 (Predicted) |
Solubility | Soluble in Ethanol, Methanol, DMF, DMSO |
Toxicity
Carcinogenicity | No indication of carcinogenicity to humans (not listed by IARC). |
Mechanism Of Toxicity | Ochratoxin A, a metabolite of Ochratoxin C, has been shown to be weakly mutagenic, possibly by induction of oxidative DNA damage. The nephrotoxin ochratoxin A (OTA) causes a reduction of glomerular filtration rate (GFR) and of para-aminohippuric acid (PAH) clearance. It is a nephrotoxin which blocks plasma membrane anion conductance in Madin-Darby canine kidney (MDCK) cells. |
Reference Reading
Spectrum
Predicted LC-MS/MS Spectrum - 10V, Positive
Experimental Conditions
Collision Energy: 10 eV
Instrument Type: QTOF (generic), spectrum predicted by CFM-ID
Mass Resolution: 0.0001 Da
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Bio Calculators
* Our calculator is based on the following equation:
Concentration (start) x Volume (start) = Concentration (final) x Volume (final)
It is commonly abbreviated as: C1V1 = C2V2