Alkaloids

(1,3-~15~N_2_)-7,9-Dihydro-1H-purine-2,6,8(3H)-trione

1,3- 15N2-尿酸

PHY-NP-09104 · Natural product research catalog

Catalog number	PHY-NP-09104
CAS number	62948-75-8
Molecular formula	C₅H₄N₄O₃
Molecular weight	170.098 g/mol
Chemical class	Alkaloids
Main reported source	Arabidopsis thaliana
Purity / assay	Min. 98% Other purity specifications available on inquiry.

Chemical structure

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5 mg	Request quote	To be confirmed	Confirm in quotation
10 mg	Request quote	To be confirmed	Confirm in quotation
20 mg	Request quote	To be confirmed	Confirm in quotation
50 mg	Request quote	To be confirmed	Confirm in quotation
100 mg	Request quote	To be confirmed	Confirm in quotation

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Product information

(1,3-~15~N_2_)-7,9-Dihydro-1H-purine-2,6,8(3H)-trione is listed in the Alkaloids section of the Phytide Bio research catalog. Standard pack sizes are 5, 10, 20, 50 and 100 mg.

For research use only. Not for human or veterinary use, diagnosis or treatment.

Names & identifiers

IUPAC name	7,9-dihydro-3H-purine-2,6,8-trione
SMILES	C12=C(NC(=O)N1)[15NH]C(=O)[15NH]C2=O
InChIKey	LEHOTFFKMJEONL-IOOOXAEESA-N
Subclass / scaffold	Pseudoalkaloids：Purine alkaloids
PubChem CID	16213490

Computed properties

Exact mass (Da)	170.0224	Predicted LogP	-1.7672
Predicted TPSA (Å²)	114.37	H-bond donors	4
H-bond acceptors	3	Rotatable bonds	0

Calculated values from the supplied dataset; not measured batch specifications.

View additional properties & classification

Ring count	2
Aromatic rings	2
Fraction Csp³	0.0
Synthetic accessibility score	3.08
QED score	0.375
Lipinski rule violations	0
NPClassifier pathway	Alkaloids
NPClassifier superclass	Pseudoalkaloids
NPClassifier class	Purine alkaloids
Parent SMILES	O=c1[nH]c2[15nH]c(=O)[15nH]c(=O)c2[nH]1
Parent formula	C₅H₄N₄O₃
Parent molecular weight	170.098
Specified stereocenters	0
Unspecified stereocenters	0

Reported natural occurrence

Main reported source	Arabidopsis thaliana

Reported natural occurrence does not establish the manufacturing origin of the supplied material.

View occurrence records & references

LOTUS species records	0
LOTUS reference records	0
COCONUT occurrence records	Arabidopsis thaliana; Bombyx mori; Bos taurus domesticus; Caenorhabditis elegans; Citrullus lanatus; Escherichia coli; Helix pomatia; Homo sapiens; Lasiosphaera fenzlii; Panax ginseng; Phaseolus vulgaris; Platynereis dumerilii; Vespertilio superans; pomegranate
COCONUT organism records	14
COCONUT identifier	CNP0156874.0

Records are inherited from the supplied dataset and are not independently verified. Taxonomic names may include synonyms.

Documents & specifications

Certificate of analysis (COA)	Batch-specific COA available on request; no PDF published yet
Safety data sheet (SDS)	Not yet published
Storage / solubility	Product-specific conditions to be confirmed
Shipping	Confirmed with the quotation

Request applicable documentation and handling information before ordering or use.