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72571-82-5 | Pipemidic Acid Trihydrate, 98%
CAS No: 72571-82-5 Catalog No: AG003TSH MDL No:MFCD01690151
Product Description
Catalog Number:
AG003TSH
Chemical Name:
Pipemidic Acid Trihydrate, 98%
CAS Number:
72571-82-5
Molecular Formula:
C14H23N5O6
Molecular Weight:
357.3623
MDL Number:
MFCD01690151
IUPAC Name:
8-ethyl-5-oxo-2-piperazin-1-ylpyrido[2,3-d]pyrimidine-6-carboxylic acid;trihydrate
InChI:
InChI=1S/C14H17N5O3.3H2O/c1-2-18-8-10(13(21)22)11(20)9-7-16-14(17-12(9)18)19-5-3-15-4-6-19;;;/h7-8,15H,2-6H2,1H3,(H,21,22);3*1H2
InChI Key:
URMXYPLWYMOYPG-UHFFFAOYSA-N
SMILES:
CCn1cc(C(=O)O)c(=O)c2c1nc(nc2)N1CCNCC1.O.O.O
UNII:
N734WBH1TJ
Properties
Complexity:
489
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
4
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
357.165g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
11
Hydrogen Bond Donor Count:
5
Isotope Atom Count:
0
Molecular Weight:
357.367g/mol
Monoisotopic Mass:
357.165g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
102A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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