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119643-82-2 | Benzamide, 5-(1-aziridinyl)-4-(hydroxyamino)-2-nitro-
CAS No: 119643-82-2 Catalog No: AG000PE2 MDL No:
Product Description
Catalog Number:
AG000PE2
Chemical Name:
Benzamide, 5-(1-aziridinyl)-4-(hydroxyamino)-2-nitro-
CAS Number:
119643-82-2
Molecular Formula:
C9H10N4O4
Molecular Weight:
238.2001
IUPAC Name:
5-(aziridin-1-yl)-4-(hydroxyamino)-2-nitrobenzamide
InChI:
InChI=1S/C9H10N4O4/c10-9(14)5-3-8(12-1-2-12)6(11-15)4-7(5)13(16)17/h3-4,11,15H,1-2H2,(H2,10,14)
InChI Key:
OAALBIMEFVOQBY-UHFFFAOYSA-N
SMILES:
ONc1cc([N+](=O)[O-])c(cc1N1CC1)C(=O)N
Properties
Complexity:
327
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
238.07g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
238.203g/mol
Monoisotopic Mass:
238.07g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
124A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4
Literature
| Title | Journal |
|---|---|
| E. coli NfsA: an alternative nitroreductase for prodrug activation gene therapy in combination with CB1954. | British journal of cancer 20090616 |
| Repeated cycles of Clostridium-directed enzyme prodrug therapy result in sustained antitumour effects in vivo. | British journal of cancer 20061106 |
| 2-Amino metabolites are key mediators of CB 1954 and SN 23862 bystander effects in nitroreductase GDEPT. | British journal of cancer 20040308 |
| Professor Tom Connors and the development of novel cancer therapies by the Phase I/II Clinical Trials Committee of Cancer Research UK. | British journal of cancer 20030804 |
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