The store will not work correctly when cookies are disabled.
Simeprevir - 10mM in DMSO, high purity , CAS No.923604-59-5
Basic Description
| Synonyms | SIMEPREVIR | 923604-59-5 | TMC435350 | TMC-435 | TMC 435 | TMC435 | TMC 435350 | TMC-435350 | Olysio | Simeprevir sodium | CHEMBL501849 | (1R,4R,6S,7Z,15R,17R)-N-cyclopropylsulfonyl-17-[7-methoxy-8-methyl-2-(4-propan-2-yl-1,3-thiazol-2-yl)quinolin-4-yl]oxy-13-methyl-2,14-dioxo |
|---|
| Specifications & Purity | 10mM in DMSO |
|---|
| Storage Temp | Store at -80°C |
|---|
| Shipped In | Ice chest + Ice pads |
|---|
| Grade | Moligand™ |
|---|
Associated Targets(Human)
Associated Targets(non-human)
Names and Identifiers
| IUPAC Name | (1R,4R,6S,7Z,15R,17R)-N-cyclopropylsulfonyl-17-[7-methoxy-8-methyl-2-(4-propan-2-yl-1,3-thiazol-2-yl)quinolin-4-yl]oxy-13-methyl-2,14-dioxo-3,13-diazatricyclo[13.3.0.04,6]octadec-7-ene-4-carboxamide |
|---|
| INCHI | InChI=1S/C38H47N5O7S2/c1-21(2)30-20-51-35(40-30)29-18-32(26-13-14-31(49-5)22(3)33(26)39-29)50-24-16-27-28(17-24)36(45)43(4)15-9-7-6-8-10-23-19-38(23,41-34(27)44)37(46)42-52(47,48)25-11-12-25/h8,10,13-14,18,20-21,23-25,27-28H,6-7,9,11-12,15-17,19H2,1-5H3,(H,41,44)(H,42,46)/b10-8-/t23-,24-,27-,28-,38-/m1/s1 |
|---|
| InChi Key | JTZZSQYMACOLNN-VDWJNHBNSA-N |
|---|
| Canonical SMILES | CC1=C(C=CC2=C1N=C(C=C2OC3CC4C(C3)C(=O)N(CCCCC=CC5CC5(NC4=O)C(=O)NS(=O)(=O)C6CC6)C)C7=NC(=CS7)C(C)C)OC |
|---|
| Isomeric SMILES | CC1=C(C=CC2=C1N=C(C=C2O[C@@H]3C[C@@H]4[C@@H](C3)C(=O)N(CCCC/C=C\[C@@H]5C[C@]5(NC4=O)C(=O)NS(=O)(=O)C6CC6)C)C7=NC(=CS7)C(C)C)OC |
|---|
| PubChem CID | 24873435 |
|---|
| Molecular Weight | 749.96 |
|---|
Safety and Hazards(GHS)
| Pictogram(s) | GHS09, GHS07 |
|---|
| Signal | Warning |
|---|
| Hazard Statements | H319:Causes serious eye irritation H302:Harmful if swallowed H410:Very toxic to aquatic life with long lasting effects H362:May cause harm to breast-fed children |
|---|
| Precautionary Statements | P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses if present and easy to do - continue rinsing. P273:Avoid release to the environment. P280:Wear protective gloves/protective clothing/eye protection/face protection. 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. P391:Collect spillage. P330:Rinse mouth. P263:Avoid contact during pregnancy/while nursing. P203:Obtain, read and follow all safety instructions before use. P264+P265:Wash hands [and …] thoroughly after handling. Do not touch eyes. P301+P317:IF SWALLOWED: Get medical help. P318:if exposed or concerned, get medical advice. P337+P317:If eye irritation persists: Get medical help. |
|---|
Solution Calculators
Molarity Calculator
Determine the necessary mass, volume, or concentration for preparing a solution.
Dilution Calculator
Determine the dilution needed to prepare a stock solution.
Reconstitution Calculator
