| Chemical & Physical Properties | |
|---|---|
| CAS Number | 133073-73-1 |
| Catalog No. | 2A-9060865 |
| Chinese Name | 二水合氨甲嘌呤 |
| Synonyms | MFCD00150848; L-Amethopterin hydrate; Methotrexate Hydrate |
| Molecular Formula | C20H22N8O5 |
| Molecular Weight | 454.44 (anhydrous basis) |
| Purity | ≥98 (HPLC) |
| Density | 1.536g/cm3 |
| Melting Point | 185-204 °C |
| Appearance | powder |
| Water Solubility | Water solubility: insoluble; insoluble: chloroform |
| Storage Condition | Sealed in a cool, dry environment at -20 ºC |
| Application | Methotrexate (hydrate) is a biochemical reagent that can be used as a biological material or organic compound in life science-related research. |
| PubChem ID | 57653876 |
| MDL Number | MFCD00150847 |
| SMILES | [H]O[H].CN(Cc1cnc2nc(N)nc(N)c2n1)c3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O |
| InChI | 1S/C20H22N8O5.H2O/c1-28(9-11-8-23-17-15(24-11)16(21)26-20(22)27-17)12-4-2-10(3-5-12)18(31)25-13(19(32)33)6-7-14(29)30;/h2-5,8,13H,6-7,9H2,1H3,(H,25,31)(H,29,30)(H,32,33)(H4,21,22,23,26,27);1H2/t13-;/m0./s1 |
| InChI Key | FPJYMUQSRFJSEW-ZOWNYOTGSA-N |
| NACRES Code | NA.77 |
| UNSPSC | 12352202 |
| Hazard Symbols | transportation |
| MSDS | msds/60865_1_133073_73_1.pdf |
| Bioactivity | Methotrexate (hydrate) is a biochemical reagent that can be used as a biological material or organic compound for life science related research. Related Catalog Research Areas >> Others Signaling Pathways >> Anti-infection >> Bacterial Chemical & Physical Properties Density 1.536g/cm3 Melting Point 195ºC Molecular Formula C20H22N8O5 Molecular Weight 454.43900 Exact Mass 454.17100 PSA 210.54000 LogP 1.82170 Vapour Pressure 0mmHg at 25°C InChIKey FOBMAFJPPNVNEI-CHNGVTQJSA-N SMILES CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1.CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1 |
| Use of | Methotrexate (hydrate) is a biochemical reagent that can be used as a biological material or organic compound for life science related research. Properties Articles353 Name L(+)-Amethopterin hydrate Synonym More Synonyms L(+)-Amethopterin hydrate Biological Activity Description Methotrexate (hydrate) is a biochemical reagent that can be used as a biological material or organic compound for life science related research. Related Catalog Research Areas >> Others Signaling Pathways >> Anti-infection >> Bacterial Chemical & Physical Properties Molecular Formula C20H22N8O5 Exact Mass 454.17100 PSA 210.54000 LogP 1.82170 InChIKey FOBMAFJPPNVNEI-CHNGVTQJSA-N |
| Transport Info | Shipping Name: UN |
| MSDS Transport Info | Module 14. Shipping information 14.1 UN dangerous goods number European Land Transport Danger Regulations: 1544 International Maritime Transport Danger Regulations: 1544 International Air Transport Danger Regulations: 1544 14.2 United Nations shipping name European Land Transport Dangerous Regulations: ALKALOIDS, SOLID, N.O.S. (Methotrexate) IMDG Code: ALKALOIDS, SOLID, N.O.S. (Methotrexate) IMDG: Alkaloids, solid, n.o.s. (Methotrexate) 14.3 Transport hazard categories European Land Transport Danger Regulations: 6.1 International Maritime Transport Danger Regulations: 6.1 International Air Transport Danger Regulations: 6.1 14.4 Package group European Land Transport Danger Regulations: III International Maritime Transport Danger Regulations: III International Air Transport Danger Regulations: III 14.5 Environmental hazards European Land Transport Danger Regulations: No International Maritime Danger Regulations International Air Transport Danger Regulations: No Marine pollutants (yes/no): No 14.6 Special reminder to users No data available |
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