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88876-88-4

88876-88-4 | 1H-Imidazole-1-ethanol,a-(1-aziridinylmethyl)-2-nitro-

CAS No: 88876-88-4 Catalog No: AG00498A MDL No:

Product Description

Catalog Number:
AG00498A
Chemical Name:
1H-Imidazole-1-ethanol,a-(1-aziridinylmethyl)-2-nitro-
CAS Number:
88876-88-4
Molecular Formula:
C9H12N4O4
Molecular Weight:
240.2160
IUPAC Name:
1-(aziridin-1-yl)-3-(2-nitroimidazol-1-yl)propan-2-ol
InChI:
InChI=1S/C8H12N4O3/c13-7(5-10-3-4-10)6-11-2-1-9-8(11)12(14)15/h1-2,7,13H,3-6H2
InChI Key:
OEWYWFJWBZNJJG-UHFFFAOYSA-N
SMILES:
OC(CC(=O)n1ccnc1[N+](=O)[O-])CN1CC1
NSC Number:
347503

Properties

Complexity:
241  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.091g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
212.209g/mol
Monoisotopic Mass:
212.091g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
86.9A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1  

Literature

Title Journal
Microsphere-based protease assays and screening application for lethal factor and factor Xa. Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501
The range of oxygenation in SiHa tumor xenografts. Radiation research 20020801
Oxygen-sensitive enzyme-prodrug gene therapy for the eradication of radiation-resistant solid tumours. Gene therapy 20020701

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