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Entecavir Hydrate - ≥99%, high purity , CAS No.209216-23-9
Basic Description
Synonyms | (4-chlorophenyl)sulfanylmethylsulfanyl-diethoxy-sulfanylidene-lambda5-phosphane | 6H-Purin-6-one, 2-amino-1,9-dihydro-9-((1S,3R,4S)-4-hydroxy-3-(hydroxymethyl)-2-methylenecyclopentyl)-, monohydrate | CS-1783 | DS-0549 | erythro | YXPVEXCTPGULBZ-WQYNNSOESA |
Specifications & Purity | ≥99% |
Storage Temp | Store at -20°C |
Shipped In | Ice chest + Ice pads |
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Names and Identifiers
IUPAC Name | 2-amino-9-[(1S,3R,4S)-4-hydroxy-3-(hydroxymethyl)-2-methylidenecyclopentyl]-1H-purin-6-one;hydrate |
INCHI | InChI=1S/C12H15N5O3.H2O/c1-5-6(3-18)8(19)2-7(5)17-4-14-9-10(17)15-12(13)16-11(9)20;/h4,6-8,18-19H,1-3H2,(H3,13,15,16,20);1H2/t6-,7-,8-;/m0./s1 |
InChi Key | YXPVEXCTPGULBZ-WQYNNSOESA-N |
Canonical SMILES | C=C1C(CC(C1CO)O)N2C=NC3=C2N=C(NC3=O)N.O |
Isomeric SMILES | C=C1[C@H](C[C@@H]([C@H]1CO)O)N2C=NC3=C2N=C(NC3=O)N.O |
PubChem CID | 135526609 |
Molecular Weight | 295.29 |
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Chemical and Physical Properties
Solubility | DMSO 59 mg/mL Water <1 mg/mL Ethanol <1 mg/mL |
Specific Rotation[α] | 36° (C=0.25,H2O) |
Melt Point(°C) | 259 °C(dec.) |
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Safety and Hazards(GHS)
Pictogram(s) | GHS08, GHS07 |
Signal | Danger |
Hazard Statements | H351:Suspected of causing cancer H302:Harmful if swallowed H372:Causes damage to organs through prolonged or repeated exposure H360:May damage fertility or the unborn child H361:Suspected of damaging fertility or the unborn child H362:May cause harm to breast-fed children |
Precautionary Statements | P280:Wear protective gloves/protective clothing/eye protection/face protection. P405:Store locked up. P501:Dispose of contents/container to ... P264:Wash hands [and …] thoroughly after handling. P260:Do not breathe dust/fume/gas/mist/vapors/spray. P270:Do not eat, drink or smoke when using this product. P330:Rinse mouth. P263:Avoid contact during pregnancy/while nursing. P203:Obtain, read and follow all safety instructions before use. P301+P317:IF SWALLOWED: Get medical help. P318:if exposed or concerned, get medical advice. P319:Get medical help if you feel unwell. |
Merck Index | 3595 |
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