Produkty 2084850-40-6
CAS 2084850-40-6 to numer rejestracyjny substancji HS-131. Oferty producentów: MedChemExpress. Dostępne opakowania: Get quote.
4-[(2E)-2-[(2Z,4E)-3-[4-[[3-[2-[2-[2-[2-[3-[2-carbamoyl-5-(3,6,6-trimethyl-4-oxo-5,7-dihydroindazol-1-yl)anilino]propoxy]ethoxy]ethoxy]ethoxy]ethoxy]propylamino]methyl]phenyl]-5-[3,3-dimethyl-1-(4-sulfobutyl)indol-1-ium-2-yl]penta-2,4-dienylidene]-3,3-dimethylindol-1-yl]butane-1-sulfonate (CAS 2084850-40-6) to związek chemiczny o wzorze sumarycznym C71H95N7O13S2 i masie molowej 1318.7 g/mol. Nazwa systematyczna IUPAC: 4-[(2E)-2-[(2Z,4E)-3-[4-[[3-[2-[2-[2-[2-[3-[2-carbamoyl-5-(3,6,6-trimethyl-4-oxo-5,7-dihydroindazol-1-yl)anilino]propoxy]ethoxy]ethoxy]ethoxy]ethoxy]propylamino]methyl]phenyl]-5-[3,3-dimethyl-1-(4-sulfobutyl)indol-1-ium-2-yl]penta-2,4-dienylidene]-3,3-dimethylindol-1-yl]butane-1-sulfonate. InChIKey: UYNYHTXDTCBXTN-UHFFFAOYSA-N.
| Wzór sumaryczny | C71H95N7O13S2 |
|---|---|
| Masa molowa | 1318.7 g/mol |
| Nazwa IUPAC | 4-[(2E)-2-[(2Z,4E)-3-[4-[[3-[2-[2-[2-[2-[3-[2-carbamoyl-5-(3,6,6-trimethyl-4-oxo-5,7-dihydroindazol-1-yl)anilino]propoxy]ethoxy]ethoxy]ethoxy]ethoxy]propylamino]methyl]phenyl]-5-[3,3-dimethyl-1-(4-sulfobutyl)indol-1-ium-2-yl]penta-2,4-dienylidene]-3,3-dimethylindol-1-yl]butane-1-sulfonate |
| InChIKey | UYNYHTXDTCBXTN-UHFFFAOYSA-N |
| SMILES | CC1=NN(C2=C1C(=O)CC(C2)(C)C)C3=CC(=C(C=C3)C(=O)N)NCCCOCCOCCOCCOCCOCCCNCC4=CC=C(C=C4)/C(=C\C=C\5/C(C6=CC=CC=C6N5CCCCS(=O)(=O)[O-])(C)C)/C=C/C7=[N+](C8=CC=CC=C8C7(C)C)CCCCS(=O)(=O)O |
Dane obliczone przez PubChem (NCBI)