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148-08-3 | 1(2H)-Pyrimidinepropanoic acid, 5-[bis(2-chloroethyl)amino]-3,4-dihydro-2,4-dioxo-
CAS No: 148-08-3 Catalog No: AG001FD1 MDL No:
Product Description
Catalog Number:
AG001FD1
Chemical Name:
1(2H)-Pyrimidinepropanoic acid, 5-[bis(2-chloroethyl)amino]-3,4-dihydro-2,4-dioxo-
CAS Number:
148-08-3
Molecular Formula:
C11H15Cl2N3O4
Molecular Weight:
324.1605
IUPAC Name:
3-[5-[bis(2-chloroethyl)amino]-2,4-dioxopyrimidin-1-yl]propanoic acid
InChI:
InChI=1S/C11H15Cl2N3O4/c12-2-5-15(6-3-13)8-7-16(4-1-9(17)18)11(20)14-10(8)19/h7H,1-6H2,(H,17,18)(H,14,19,20)
InChI Key:
YJZHHUYNDYCOCG-UHFFFAOYSA-N
SMILES:
ClCCN(c1cn(CCC(=O)O)c(=O)[nH]c1=O)CCCl
NSC Number:
75719
Properties
Complexity:
422
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
323.044g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
324.158g/mol
Monoisotopic Mass:
323.044g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
90A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
Literature
| Title | Journal |
|---|---|
| Design, synthesis, and biological activity of hybrid compounds between uramustine and DNA minor groove binder distamycin A. | Journal of medicinal chemistry 20020815 |
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