Account ((2R,3S,4R,5R)-3,4-Dihydroxy-5-(6-((2-(methylthio)ethyl)amino)-2-((3,3,3-trifluoropropyl)thio)-9H-purin-9-yl)tetrahydrofuran-2-yl)methyl dihydrogen phosphate
- Catalog No. :
- ACBVWY934
- CAS No. :
- 847460-53-1
- Molecular Formula :
- C16H23F3N5O7PS2
- Molecular Weight :
- 549.49
IUPAC Name:((2R,3S,4R,5R)-3,4-dihydroxy-5-(6-((2-(methylthio)ethyl)amino)-2-((3,3,3-trifluoropropyl)thio)-9H-purin-9-yl)tetrahydrofuran-2-yl)methyl dihydrogen phosphate
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Product Information
| Product Name | ((2R,3S,4R,5R)-3,4-Dihydroxy-5-(6-((2-(methylthio)ethyl)amino)-2-((3,3,3-trifluoropropyl)thio)-9H-purin-9-yl)tetrahydrofuran-2-yl)methyl dihydrogen phosphate |
|---|---|
| IUPAC Name | ((2R,3S,4R,5R)-3,4-dihydroxy-5-(6-((2-(methylthio)ethyl)amino)-2-((3,3,3-trifluoropropyl)thio)-9H-purin-9-yl)tetrahydrofuran-2-yl)methyl dihydrogen phosphate |
| Molecular Formula | C16H23F3N5O7PS2 |
| Molecular Weight | 549.49 |
| SMILES | O=P(O)(OC[C@H]1O[C@@H](N2C=NC3=C(NCCSC)N=C(SCCC(F)(F)F)N=C23)[C@H](O)[C@@H]1O)O |
| InChI Key | KVLRBRZHCOVMNX-IDTAVKCVSA-N |
| Synonym | Cangrelor Impurity 2;N-[2-(methylthio)ethyl]-2-[(3,3,3-trifluoropropyl)thio]-5’-adenylic Acid;5'-Adenylic acid, N-[2-(methylthio)ethyl]-2-[(3,3,3-trifluoropropyl)thio]- (9CI);Cangrelor tetrasodium impurity C-1 |
| CAS No. | 847460-53-1 |
Safety Data
- Pictogram
- Signal Word
- Achtung
- Hazard Statement(s)
- H302-H315-H319-H335
- Precautionary Statement(s)
- P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P330-P362-P403+P233-P501
Synthetic Route by SureRoute
2. ACBVWY934 Molecular Building Block Synthetic Route
(2R,3S,4R,5R)-2-(Hydroxymethyl)-5-(6-((2-(methylthio)ethyl)amino)-2-((3,3,3-trifluoropropyl)thio)-9H-purin-9-yl)tetrahydrofuran-3,4-diol
((2R,3S,4R,5R)-5-(6-Amino-2-(pentylthio)-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl dihydrogen phosphate
((2R,3S,4R,5R)-5-(6-Amino-2-(decylthio)-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl dihydrogen phosphate