| CAS Number | 151455-33-3 |
| Catalog Number | AG01E2A2(AGN-PC-0Q619C) |
| Chemical Name | Ethyl 6-bromo-4-[(dimethylamino)methyl]-5-hydroxy-1-methyl-2-[(phenylsulfinyl)methyl]-1H-indole-3-carboxylate |
| IUPAC Name | ethyl 2-(benzenesulfinylmethyl)-6-bromo-4-[(dimethylamino)methyl]-5-hydroxy-1-methylindole-3-carboxylate |
| InChI | InChI=1S/C22H25BrN2O4S/c1-5-29-22(27)20-18(13-30(28)14-9-7-6-8-10-14)25(4)17-11-16(23)21(26)15(19(17)20)12-24(2)3/h6-11,26H,5,12-13H2,1-4H3 |
| InChI Key | CTIGWEMWZSPYAS-UHFFFAOYSA-N |
| Molecular Formula | C22H25BrN2O4S |
| Molecular Weight | 493.4139 |
| SMILES | O=C(OCC)C=1C=2C(=CC(Br)=C(O)C2CN(C)C)N(C1CS(=O)C=3C=CC=CC3)C |
| Synonyms | Arbidol Sulfoxide,
151455-33-3,
1H-Indole-3-carboxylic acid, 6-bromo-4-((dimethylamino)methyl)-5-hydroxy-1-methyl-2-((phenylsulfinyl)methyl)-, ethyl ester,
1H-Indole-3-carboxylic acid, 6-bromo-4-[(dimethylamino)methyl]-5-hydroxy-1-methyl-2-[(phenylsulfinyl)methyl]-, ethyl ester,
Umifenovir sulfoxide,
Umifenovir metabolite M6,
CHEMBL3125914,
SCHEMBL11928191,
ethyl 2-(benzenesulfinylmethyl)-6-bromo-4-(dimethylaminomethyl)-5-hydroxy-1-methyl-indole-3-carboxylate,
UNII-K7Z9APJ3SC,
K7Z9APJ3SC,
|
| Complexity | 616 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 492.072g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 30 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 493.416g/mol |
| Monoisotopic Mass | 492.072g/mol |
| Rotatable Bond Count | 8 |
| Topological Polar Surface Area | 91A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number