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Patulin-13C7

CAT: 0804-HY-N6779SSize: 30 μg (155.21 μM x 1.2 mL in Acetonitrile)Dry Ice: NoHazardous: No
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CAT#:0804-HY-N6779SSize:30 μg (155.21 μM x 1.2 mL in Acetonitrile)
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Patulin-13C7 (Terinin-13C7) is the 13C labeled Patulin. Patulin (Terinin) is a mycotoxin produced by fungi including the Aspergillus, Penicillium, and Byssochlamys species, is suspected to be clastogenic, mutagenic, teratogenic and cytotoxic. Patulin induces autophagy-dependent apoptosis through lysosomal-mitochondrial axis, and causes DNA damage[2][3][4][5].
CAS Number
1353867-99-8
Product Name Alternative
Terinin-13C7
UNSPSC
12352005
Hazard Statement
H300-H315
Target
Isotope-Labeled Compounds
Type
Isotope-Labeled Compounds
Related Pathways
Others
Applications
COVID-19-immunoregulation
Field of Research
Infection
Assay Protocol
https://www.medchemexpress.com/patulin-13c7.html
Concentration
155.21 μM * 1.2 mL in Acetonitrile
Solubility
10 mM in DMSO
Smiles
O=[13C]1[13CH]=[13C]2[13CH](O)O[13CH2][13CH]=[13C]2O1
Molecular Formula
13C7H6O4
Molecular Weight
161.07
Precautions
P264-P270-P280-P302+P352-P330-P362+P364-P405-P501
References & Citations
[1]Russak EM, et al. Impact of Deuterium Substitution on the Pharmacokinetics of Pharmaceuticals. Ann Pharmacother. 2019 Feb;53 (2) :211-220.
Shipping Conditions
Room temperature
Scientific Category
Isotope-Labeled Compounds
Clinical Information
No Development Reported

Chemical Information

Patulin-13C7
CAS Number1353867-99-8
PubChem CID117064737
IUPAC Name4-hydroxy-4,6-dihydro(2,3,4,5-13C4)furano[3,2-c](2,3,4,5,6-13C5)pyran-2-one
Molecular FormulaC7H6O4
Molecular Weight161.069
XLogP-1
Topological Polar Surface Area55.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count0
Heavy Atom Count11
Formal Charge0
Complexity264
SMILES
[13CH2]1[13CH]=[13C]2[13C](=[13CH][13C](=O)O2)[13CH](O1)O
InChI
InChI=1S/C7H6O4/c8-6-3-4-5(11-6)1-2-10-7(4)9/h1,3,7,9H,2H2/i1+1,2+1,3+1,4+1,5+1,6+1,7+1
InChIKey
ZRWPUFFVAOMMNM-BNUYUSEDSA-N
Chemical Structure
2D Structure
2D structure of Patulin-13C7
CAS: 1353867-99-8
CID: 117064737
Formula: C7H6O4
MW: 161.069
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight161.069
XLogP3-1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count0
Exact Mass161.05009252
Monoisotopic Mass161.05009252
Topological Polar Surface Area55.8 Ų
Heavy Atom Count11
Formal Charge0
Complexity264
Isotope Atom Count7
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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