| CAS Number | 1445379-92-9 |
| Catalog Number | AG00ABQY |
| Chemical Name | ALS-8176 (active form) |
| IUPAC Name | 4-amino-1-[(2R,3R,4R,5R)-5-(chloromethyl)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one |
| InChI | InChI=1S/C10H13ClFN3O4/c11-3-10(4-16)7(17)6(12)8(19-10)15-2-1-5(13)14-9(15)18/h1-2,6-8,16-17H,3-4H2,(H2,13,14,18)/t6-,7+,8-,10-/m1/s1 |
| InChI Key | AWSRKKBIPSQHOJ-IBCQBUCCSA-N |
| MDL Number | MFCD28902237 |
| Molecular Formula | C10H13ClFN3O4 |
| Molecular Weight | 293.6793 |
| SMILES | [C@@]1(CCl)(CO)O[C@@H](N2C=CC(N)=NC2=O)[C@H](F)[C@@H]1O |
| UNII | 7795987MKM |
| Synonyms | ALS-8112,
1445379-92-9,
ALS-8176 (active form),
UNII-7795987MKM,
7795987MKM,
CHEMBL3417243,
SCHEMBL15070479,
ALS 8112;ALS8112,
AKOS030526542,
ZINC146973421,
CS-5472,
HY-12983,
4'-Chloromethyl-2'-deoxy-2'-fluorocytidine,
Cytidine, 2'-deoxy-2'-fluoro-4'-c-alpha-chloromethyl-,
ALS-8176 active form,
4/'-Chloromethyl-2/'-deoxy-2/'-fluorocytidine,
|
| Complexity | 447 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 4 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 293.058g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 293.679g/mol |
| Monoisotopic Mass | 293.058g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 108A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -1.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number