EMBL-EBI | Chemical Biology | ChEBI
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| Formula | C49H71N9O16 |
| Net Charge | 0 |
| Average Mass | 1042.154 |
| Monoisotopic Mass | 1041.50188 |
| SMILES | O=C(O)CC[C@H](NC(=O)N[C@@H](CCCCNC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@H]1CC[C@H](CNC(=O)CN2CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC2)CC1)C(=O)O)C(=O)O |
| InChI | InChI=1S/C49H71N9O16/c59-40(28-55-17-19-56(29-42(62)63)21-23-58(31-44(66)67)24-22-57(20-18-55)30-43(64)65)51-27-32-8-12-35(13-9-32)45(68)52-39(26-33-10-11-34-5-1-2-6-36(34)25-33)46(69)50-16-4-3-7-37(47(70)71)53-49(74)54-38(48(72)73)14-15-41(60)61/h1-2,5-6,10-11,25,32,35,37-39H,3-4,7-9,12-24,26-31H2,(H,50,69)(H,51,59)(H,52,68)(H,60,61)(H,62,63)(H,64,65)(H,66,67)(H,70,71)(H,72,73)(H2,53,54,74)/t32-,35-,37-,38-,39-/m0/s1 |
| InChIKey | JBHPLHATEXGMQR-LFWIOBPJSA-N |
| Roles Classification |
|---|
| Applications: | 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. antineoplastic agent A substance that inhibits or prevents the proliferation of neoplasms. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| vipivotide tetraxetan (CHEBI:757783) has functional parent pentacarboxylic acid (CHEBI:35743) |
| vipivotide tetraxetan (CHEBI:757783) has role antineoplastic agent (CHEBI:35610) |
| vipivotide tetraxetan (CHEBI:757783) has role diagnostic imaging agent (CHEBI:37334) |
| vipivotide tetraxetan (CHEBI:757783) is a organooxygen compound (CHEBI:36963) |
| INNs | Source |
|---|---|
| vipivotida tetraxetan | WHO MedNet |
| vipivotide tetraxetan | WHO MedNet |
| Synonyms | Source |
|---|---|
| DKFZ-PSMA-617 | ChEMBL |
| PSMA-617 | ChEMBL |
| PSMA617 | ChEMBL |
| Citations |
|---|