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187235-08-1 | (S)-2-Nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazin-6-ol
CAS No: 187235-08-1 Catalog No: AG007S18 MDL No:MFCD08436173
Product Description
Catalog Number:
AG007S18
Chemical Name:
(S)-2-Nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazin-6-ol
CAS Number:
187235-08-1
Molecular Formula:
C6H7N3O4
Molecular Weight:
185.1375
MDL Number:
MFCD08436173
IUPAC Name:
(6S)-2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazin-6-ol
InChI:
InChI=1S/C6H7N3O4/c10-4-1-8-2-5(9(11)12)7-6(8)13-3-4/h2,4,10H,1,3H2/t4-/m0/s1
InChI Key:
HMFPMGBWSFUHEN-BYPYZUCNSA-N
SMILES:
[O-][N+](=O)c1cn2c(n1)OC[C@H](C2)O
Properties
Complexity:
218
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
185.044g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
185.139g/mol
Monoisotopic Mass:
185.044g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
93.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4
Literature
| Title | Journal |
|---|---|
| Synthesis and structure-activity studies of biphenyl analogues of the tuberculosis drug (6S)-2-nitro-6-{[4-(trifluoromethoxy)benzyl]oxy}-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine (PA-824). | Journal of medicinal chemistry 20100114 |
| Structure-activity relationships of antitubercular nitroimidazoles. 1. Structural features associated with aerobic and anaerobic activities of 4- and 5-nitroimidazoles. | Journal of medicinal chemistry 20090312 |
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