200,000+ products from a single source!
sales@angenechem.com
192564-13-9 | Benzoic acid, 4-[[3-(1,6-dihydro-6-oxo-9H-purin-9-yl)-1-oxopropyl]amino]-, potassium salt (1:1)
CAS No: 192564-13-9 Catalog No: AG002G3R MDL No:
Product Description
Catalog Number:
AG002G3R
Chemical Name:
Benzoic acid, 4-[[3-(1,6-dihydro-6-oxo-9H-purin-9-yl)-1-oxopropyl]amino]-, potassium salt (1:1)
CAS Number:
192564-13-9
Molecular Formula:
C15H12KN5O4
Molecular Weight:
365.3852
IUPAC Name:
potassium;4-[3-(6-oxo-1H-purin-9-yl)propanoylamino]benzoate
InChI:
InChI=1S/C15H13N5O4.K/c21-11(19-10-3-1-9(2-4-10)15(23)24)5-6-20-8-18-12-13(20)16-7-17-14(12)22;/h1-4,7-8H,5-6H2,(H,19,21)(H,23,24)(H,16,17,22);/q;+1/p-1
InChI Key:
MICLTPPSCUXHJT-UHFFFAOYSA-M
SMILES:
O=C(Nc1ccc(cc1)C(=O)[O-])CCn1cnc2c1nc[nH]c2=O.[K+]
UNII:
Q06WU8JY4F
Properties
Complexity:
550
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
365.053g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
365.39g/mol
Monoisotopic Mass:
365.053g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
129A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.