| CAS Number | 1124347-33-6 |
| Catalog Number | AG008TLR |
| Chemical Name | Dextrorotation nimorazole phosphate ester |
| IUPAC Name | [(2R)-1-(2-methyl-5-nitroimidazol-1-yl)-3-morpholin-4-ylpropan-2-yl] dihydrogen phosphate |
| InChI | InChI=1S/C11H19N4O7P/c1-9-12-6-11(15(16)17)14(9)8-10(22-23(18,19)20)7-13-2-4-21-5-3-13/h6,10H,2-5,7-8H2,1H3,(H2,18,19,20)/t10-/m1/s1 |
| InChI Key | CCDHHPOGWLYHAX-SNVBAGLBSA-N |
| MDL Number | MFCD29472251 |
| Molecular Formula | C11H19N4O7P |
| Molecular Weight | 350.2649 |
| SMILES | C1CN(C[C@@H](OP(O)(O)=O)CN2C(C)=NC=C2[N+]([O-])=O)CCO1 |
| Synonyms | Dextrorotation nimorazole phosphate ester,
1124347-33-6,
ZINC59030766,
CS-5060,
HY-18716,
|
| Complexity | 450 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 350.099g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 23 |
| Hydrogen Bond Acceptor Count | 9 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 350.268g/mol |
| Monoisotopic Mass | 350.099g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 143A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -3.7 |
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Certificate of Analysis
Lot Number