Products 2206660-95-7
CAS 2206660-95-7 is the registry number for Zopocianine (sodium). Offered by: MedChemExpress. Available pack sizes: Get quote.
Heptasodium;(2S)-2-[[(1S)-1-carboxylato-4-[2-[2-[3-[[(2S)-1-[[(1S)-1-carboxylato-2-[4-[(6E)-2-[(E)-2-[3,3-dimethyl-5-sulfonato-1-(4-sulfonatobutyl)indol-1-ium-2-yl]ethenyl]-6-[(2E)-2-[3,3-dimethyl-5-sulfonato-1-(4-sulfonatobutyl)indol-2-ylidene]ethylidene]cyclohexen-1-yl]oxyphenyl]ethyl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-oxopropoxy]ethoxy]ethylamino]-4-oxobutyl]carbamoylamino]pentanedioate (CAS 2206660-95-7) is a chemical compound with the molecular formula C74H86N7Na7O27S4 and a molecular weight of 1794.7 g/mol. IUPAC name: heptasodium;(2S)-2-[[(1S)-1-carboxylato-4-[2-[2-[3-[[(2S)-1-[[(1S)-1-carboxylato-2-[4-[(6E)-2-[(E)-2-[3,3-dimethyl-5-sulfonato-1-(4-sulfonatobutyl)indol-1-ium-2-yl]ethenyl]-6-[(2E)-2-[3,3-dimethyl-5-sulfonato-1-(4-sulfonatobutyl)indol-2-ylidene]ethylidene]cyclohexen-1-yl]oxyphenyl]ethyl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-oxopropoxy]ethoxy]ethylamino]-4-oxobutyl]carbamoylamino]pentanedioate. InChIKey: ZVQNOBGMXDIMLW-HHKHVMTFSA-G.
| Molecular formula | C74H86N7Na7O27S4 |
|---|---|
| Molecular weight | 1794.7 g/mol |
| IUPAC name | heptasodium;(2S)-2-[[(1S)-1-carboxylato-4-[2-[2-[3-[[(2S)-1-[[(1S)-1-carboxylato-2-[4-[(6E)-2-[(E)-2-[3,3-dimethyl-5-sulfonato-1-(4-sulfonatobutyl)indol-1-ium-2-yl]ethenyl]-6-[(2E)-2-[3,3-dimethyl-5-sulfonato-1-(4-sulfonatobutyl)indol-2-ylidene]ethylidene]cyclohexen-1-yl]oxyphenyl]ethyl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-oxopropoxy]ethoxy]ethylamino]-4-oxobutyl]carbamoylamino]pentanedioate |
| InChIKey | ZVQNOBGMXDIMLW-HHKHVMTFSA-G |
| SMILES | CC1(C2=C(C=CC(=C2)S(=O)(=O)[O-])[N+](=C1/C=C/C3=C(/C(=C/C=C/4\C(C5=C(N4CCCCS(=O)(=O)[O-])C=CC(=C5)S(=O)(=O)[O-])(C)C)/CCC3)OC6=CC=C(C=C6)C[C@@H](C(=O)[O-])NC(=O)[C@H](CC7=CC=CC=C7)NC(=O)CCOCCOCCNC(=O)CC[C@@H](C(=O)[O-])NC(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])CCCCS(=O)(=O)[O-])C.[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+] |
Computed by PubChem (NCBI)
Synonyms:
Zopocianine Sodium, ZOPOCIANINE SODIUM [USAN]