EMBL-EBI | Chemical Biology | ChEBI
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| Formula | Na.C38H37N5O9.Na.Na.Na |
| Net Charge | 0 |
| Average Mass | 799.700 |
| Monoisotopic Mass | 799.21820 |
| SMILES | C=Cc1c(C)c2cc3nc(c(CC(=O)N[C@@H](CC(=O)[O-])C(=O)[O-])c4nc(cc5nc(cc1n2)C(C)=C5CC)c(C)c4C(=O)[O-])[C@@H](CCC(=O)[O-])[C@@H]3C.[Na+].[Na+].[Na+].[Na+] |
| InChI | InChI=1S/C38H41N5O9.4Na/c1-7-20-16(3)24-12-26-18(5)22(9-10-32(45)46)35(42-26)23(11-31(44)41-30(37(49)50)15-33(47)48)36-34(38(51)52)19(6)27(43-36)14-29-21(8-2)17(4)25(40-29)13-28(20)39-24;;;;/h7,12-14,18,22,30,39,43H,1,8-11,15H2,2-6H3,(H,41,44)(H,45,46)(H,47,48)(H,49,50)(H,51,52);;;;/q;4*+1/p-4/b24-12-,25-13-,26-12-,27-14-,28-13-,29-14-,35-23-,36-23-;;;;/t18-,22-,30-;;;;/m0..../s1 |
| InChIKey | KPALSRNVSRWOPA-YJFNSWLASA-J |
| Roles Classification |
|---|
| Application: | antineoplastic agent A substance that inhibits or prevents the proliferation of neoplasms. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| talaporfin sodium (CHEBI:752873) has role antineoplastic agent (CHEBI:35610) |
| talaporfin sodium (CHEBI:752873) is a metallotetrapyrrole (CHEBI:33909) |
| Synonyms | Source |
|---|---|
| LS-11 | ChEMBL |
| ME 2906 | ChEMBL |
| ME-2906 | ChEMBL |
| Talaporfin tetrasodium salt | ChEMBL |
| Taporfin sodium | ChEMBL |