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163734-06-3 | 7H-Purine-7-propanamide, 2-amino-1,6-dihydro-α-hydroxy-6-oxo-
CAS No: 163734-06-3 Catalog No: AG001UDA MDL No:
Product Description
Catalog Number:
AG001UDA
Chemical Name:
7H-Purine-7-propanamide, 2-amino-1,6-dihydro-α-hydroxy-6-oxo-
CAS Number:
163734-06-3
Molecular Formula:
C8H10N6O3
Molecular Weight:
238.2034
IUPAC Name:
3-(2-amino-6-oxo-1H-purin-7-yl)-2-hydroxypropanamide
InChI:
InChI=1S/C8H10N6O3/c9-5(16)3(15)1-14-2-11-6-4(14)7(17)13-8(10)12-6/h2-3,15H,1H2,(H2,9,16)(H3,10,12,13,17)
InChI Key:
JYHHZNJOFXOGSQ-UHFFFAOYSA-N
SMILES:
NC(=O)C(Cn1cnc2c1c(=O)[nH]c(n2)N)O
Properties
Complexity:
384
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
238.081g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
238.207g/mol
Monoisotopic Mass:
238.081g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
149A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.9
Literature
| Title | Journal |
|---|---|
| Acrylamide genotoxicity in young versus adult gpt delta male rats. | Mutagenesis 20110701 |
| DNA adduct formation and induction of micronuclei and mutations in B6C3F1/Tk mice treated neonatally with acrylamide or glycidamide. | International journal of cancer 20090501 |
| Cytogenetic damage induced by acrylamide and glycidamide in mammalian cells: correlation with specific glycidamide-DNA adducts. | Toxicological sciences : an official journal of the Society of Toxicology 20070201 |
| DNA adducts: mass spectrometry methods and future prospects. | Toxicology and applied pharmacology 20050901 |
| DNA damage and DNA adduct formation in rat tissues following oral administration of acrylamide. | Mutation research 20050207 |
| DNA adduct formation from acrylamide via conversion to glycidamide in adult and neonatal mice. | Chemical research in toxicology 20031001 |
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