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CHEBI:759308 - zopocianine sodium
| Formula | Na.C74H86N7O27S4.Na.Na.Na.Na.Na.Na |
| Net Charge | 0 |
| Average Mass | 1794.722 |
| Monoisotopic Mass | 1793.37383 |
| SMILES | CC1(C)C(/C=C/C2=C(Oc3ccc(C[C@H](NC(=O)[C@H](Cc4ccccc4)NC(=O)CCOCCOCCNC(=O)CC[C@H](NC(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])C(=O)[O-])C(=O)[O-])cc3)/C(=C/C=C3/N(CCCCS(=O)(=O)[O-])c4ccc(S(=O)(=O)[O-])cc4C3(C)C)CCC2)=[N+](CCCCS(=O)(=O)[O-])c2ccc(S(=O)(=O)[O-])cc21.[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+] |
| InChI | InChI=1S/C74H93N7O27S4.7Na/c1-73(2)54-45-52(111(100,101)102)23-27-60(54)80(35-8-10-41-109(94,95)96)62(73)29-19-49-15-12-16-50(20-30-63-74(3,4)55-46-53(112(103,104)105)24-28-61(55)81(63)36-9-11-42-110(97,98)99)67(49)108-51-21-17-48(18-22-51)44-59(71(91)92)77-68(86)58(43-47-13-6-5-7-14-47)76-65(83)33-37-106-39-40-107-38-34-75-64(82)31-25-56(69(87)88)78-72(93)79-57(70(89)90)26-32-66(84)85;;;;;;;/h5-7,13-14,17-24,27-30,45-46,56-59H,8-12,15-16,25-26,31-44H2,1-4H3,(H12-,75,76,77,78,79,82,83,84,85,86,87,88,89,90,91,92,93,94,95,96,97,98,99,100,101,102,103,104,105);;;;;;;/q;7*+1/p-7/t56-,57-,58-,59-;;;;;;;/m0......./s1 |
| InChIKey | ZVQNOBGMXDIMLW-HHKHVMTFSA-G |
| Roles Classification |
|---|
| Chemical Role: | Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid). |
| Application: | diagnostic imaging agent A substance administered to enhance contrast in images of the inside of the body obtained using X-rays, γ-rays, sound waves, radio waves (MRI), or radioactive particles in order to diagnose disease. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| zopocianine sodium (CHEBI:759308) has role diagnostic imaging agent (CHEBI:37334) |
| zopocianine sodium (CHEBI:759308) is a dipeptide (CHEBI:46761) |
| Synonyms | Source |
|---|---|
| OTL0078 sodium | ChEMBL |
| OTL-0078 SODIUM | ChEMBL |
| OTL78 SODIUM | ChEMBL |
| Zopocianine sodium | ChEMBL |