| CAS Number | 122111-05-1 |
| Catalog Number | AG007P7E(AGN-PC-0PFW5C) |
| Chemical Name | 1'-epi Gemcitabine (hydrochloride) |
| IUPAC Name | 4-amino-1-[(2S,4S,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;hydrochloride |
| InChI | InChI=1S/C9H11F2N3O4.ClH/c10-9(11)6(16)4(3-15)18-7(9)14-2-1-5(12)13-8(14)17;/h1-2,4,6-7,15-16H,3H2,(H2,12,13,17);1H/t4-,6+,7+;/m1./s1 |
| InChI Key | OKKDEIYWILRZIA-DNSZWREKSA-N |
| MDL Number | MFCD12031367 |
| Molecular Formula | C9H12ClF2N3O4 |
| Molecular Weight | 299.6591 |
| SMILES | FC1(F)[C@H](O[C@H](CO)[C@H]1O)N2C(=O)N=C(N)C=C2.Cl |
| Synonyms | 1'-Epi Gemcitabine Hydrochloride,
122111-05-1,
CTK8F0910,
DTXSID70675880,
AKOS030241366,
RT-005765,
J-004763,
4-Amino-1-(2-deoxy-2,2-difluoro-|A-D-erythro-pentofuranosyl)-2(1H)-pyrimidinone Hydrochloride,
4-Amino-1-(2-deoxy-2,2-difluoro-alpha-D-threo-pentofuranosyl)pyrimidin-2(1H)-one--hydrogen chloride (1/1),
|
| Complexity | 426 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 3 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 299.048g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 4 |
| Isotope Atom Count | 0 |
| Molecular Weight | 299.659g/mol |
| Monoisotopic Mass | 299.048g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 108A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
|
Signal Words
|
|
Certificate of Analysis
Lot Number