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75459-34-6 | 2-methyl-4,6-dinitro-5-(4-phenylpiperazin-1-yl)-1h-benzimidazole
CAS No: 75459-34-6 Catalog No: AG005BI0 MDL No:
Product Description
Catalog Number:
AG005BI0
Chemical Name:
2-methyl-4,6-dinitro-5-(4-phenylpiperazin-1-yl)-1h-benzimidazole
CAS Number:
75459-34-6
Molecular Formula:
C18H18N6O4
Molecular Weight:
382.3733
IUPAC Name:
2-[(2-amino-2-oxoethyl)-[2-[(2-amino-2-oxoethyl)-(carboxymethyl)amino]propyl]amino]acetic acid
InChI:
InChI=1S/C11H20N4O6/c1-7(15(4-9(13)17)6-11(20)21)2-14(3-8(12)16)5-10(18)19/h7H,2-6H2,1H3,(H2,12,16)(H2,13,17)(H,18,19)(H,20,21)
InChI Key:
YXWHFCSUHVBWFG-UHFFFAOYSA-N
SMILES:
Cc1nc2c([nH]1)cc(c(c2[N+](=O)[O-])N1CCN(CC1)c1ccccc1)[N+](=O)[O-]
Properties
Complexity:
414
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
304.138g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
304.303g/mol
Monoisotopic Mass:
304.138g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
167A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-6.7
Literature
| Title | Journal |
|---|---|
| Hydrophilic interaction liquid chromatography in the separation of a moderately lipophilic drug from its highly polar metabolites--the cardioprotectant dexrazoxane as a model case. | Journal of chromatography. A 20110121 |
| The iron chelator Dp44mT does not protect myocytes against doxorubicin. | Journal of inorganic biochemistry 20090701 |
| Metabolism of the one-ring open metabolites of the cardioprotective drug dexrazoxane to its active metal-chelating form in the rat. | Drug metabolism and disposition: the biological fate of chemicals 20050901 |
| Metabolism of dexrazoxane (ICRF-187) used as a rescue agent in cancer patients treated with high-dose etoposide. | Cancer chemotherapy and pharmacology 20030801 |
| The doxorubicin-cardioprotective drug dexrazoxane undergoes metabolism in the rat to its metal ion-chelating form ADR-925. | Cancer chemotherapy and pharmacology 20021201 |
| Dexrazoxane (ICRF-187) protects cardiac myocytes against hypoxia-reoxygenation damage. | Cardiovascular toxicology 20020101 |
| [Development of cancer chemotherapy. Cytoprotective agents]. | La Clinica terapeutica 20010101 |
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