HuagongsheHuagongshe Chemistry Print Report · For research reference only
2-((2-Amino-6-oxo-1,6-dihydro-9H-purin-9-YL)methoxy)-3-hydroxypropyl propionate, (+-)-
Ganciclovir Impurity B · Gancyclovir Impurity 6 · Ganciclovir Impurity 9 · Valganciclovir USP RC J · Ganciclovir EP impurity B · Ganciclovir impurities817 · Ganciclovir Monopropionate · Ganciclovir Monoproprionate
Identifiers & Physical Properties
| CAS No. | 194159-18-7 |
|---|---|
| Molecular formula | C12H17N5O5 |
| Average molar mass | 311.29 g/mol |
| SMILES | CCC(=O)OCC(CO)OCn1cnc2c(=O)[nH]c(N)nc21 |
| InChIKey | WWWAJZGPKYMTAM-UHFFFAOYSA-N |
| PubChem CID | 135515409 |
| EC No. | 839-214-1 |
Chemical & Physical Properties
| XLogP | -1.5 |
|---|---|
| Topological polar surface area | 141 |
| Hydrogen bond donors | 3 |
| Hydrogen bond acceptors | 7 |
| Rotatable bonds | 8 |
| Heavy atoms | 22 |
| Formal charge | 0 |
| Complexity | 457 |
| LogP (partition coefficient) | -0.92 |
| Melting point | >190°C (dec.) |
| Density | 1.60±0.1 g/cm3(Predicted) |
| Storage conditions | Refrigerator, under inert atmosphere |
| Solubility | DMSO (Slightly), Methanol (Very Slightly, Sonicated) |
| pKa (acidity coefficient) | 9.32±0.20(Predicted) |
| Physical state | Solid |
| Color | Off-White |
| FDA UNII | 88D0H2WAXF |
| GHS pictogram | GHS08 |
| Signal word | Danger |
| GHS hazard statements | H340-H360-H362-H351 |
| GHS precautionary statements | P201-P260-P263-P264-P270-P308+P313-P201-P202-P281-P308+P313-P405-P501 |
Safety & Regulations
| GHS classification | DangerH340 (100%): May cause genetic defects [Danger Germ cell mutagenicity]P203, P260, P263, P264, P270, P280, P318, P405, and P501 (click each P-code to see the statement)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory. |
|---|---|
| Hazard Classes and Categories | Muta. 1B (100%) |
| Signal word | Danger |
| GHS pictogram | GHS08 |
| GHS hazard statements | H340-H360-H362-H351 |
| GHS precautionary statements | P201-P260-P263-P264-P270-P308+P313-P201-P202-P281-P308+P313-P405-P501 |
Applications & Uses
Uses
Ganciclovir Mono-O-propionate is a potential prodrug of Ganciclovir (G235000). Ganciclovir Mono-O-propionate was also found to exhibit anti-viral activity through experimental studies.