6-Mercaptopurine monohydrate
ALDRICH/852678 - 98%
Synonym: 6-Purinethiol; 6-Thiohypoxanthine
CAS Number: 6112-76-1
Empirical Formula (Hill Notation): C5H4N4S · H2O
Molecular Weight: 170.19
EC Number: 200-037-4
MDL Number: MFCD03854445
Linear Formula: C5H4N4S · H2O
Product Type: Chemical
| assay | 98% |
| form | powder |
| InChI | 1S/C5H4N4S.H2O/c10-5-3-4( |
| InChI key | WFFQYWAAEWLHJC-UHFFFAOYSA |
| mp | >300 °C (lit.) |
| Quality Level | 100 ![]() |
| SMILES string | O.Sc1ncnc2[nH]cnc12 |
| Application: | 6-Mercaptopurine is a widely used antileukemic agent that inhibits de novo purine synthesis through incorporation of thiopurine methyltransferase metabolites into DNA and RNA. |
| General description: | 6-Mercaptopurine monohydrate is an antimetabolite and antineoplastic drug. Its cocrystallization with 4-hydroxybenzoic acid and 2,4-dihydroxybenzoic acid or salt formation with piperazine may improve its aqueous solubility. |
| Packaging: | 1, 5 g in glass bottle |
| Symbol | ![]() GHS06,GHS08 |
| Signal word | Danger |
| Hazard statements | H301 - H341 - H361fd |
| Precautionary statements | P201 - P202 - P264 - P270 - P280 - P301 + P310 |
| Hazard Codes | Xn |
| Risk Statements | 22-36/37/38 |
| Safety Statements | 22-36/37/39-45 |
| RIDADR | UN 2811 6.1 / PGIII |
| WGK Germany | WGK 3 |
| Purity | 98% |
| mp | >300 °C (lit.) |
| UNSPSC | 12352005 |



