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pasireotide aspartate
"An aspartate salt that is the diaspartate salt of pasireotide. A somatostatin analogue with pharmacologic properties mimicking those of the natural hormone somatostatin; used for treatment of Cushing's disease."


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05. Industrial Uses: pharmaceutical [CHEBI:52217] > drug [CHEBI:23888] > prodrug [CHEBI:50266] > pasireotide aspartate [CHEBI:72313]
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05. Industrial Uses 
05. Industrial Uses
 pharmaceutical [CHEBI:52217] (1978) 
 drug [CHEBI:23888] (1930) 
 antineoplastic agent [CHEBI:35610] (760) 
 pasireotide aspartate [CHEBI:72313] (1)
 prodrug [CHEBI:50266] (88) 
 pasireotide aspartate [CHEBI:72313] (1)
08. Chemical Category 
08. Chemical Category
 polyatomic entity [CHEBI:36357] (18777) 
 heteroatomic molecular entity [CHEBI:37577] (13672) 
 salt [CHEBI:24866] (931) 
 organic salt [CHEBI:24868] (775) 
 aspartate salt [CHEBI:72314] (1) 
 pasireotide aspartate [CHEBI:72313] (1)
ChEBI Compound Accession Identifier  [CHEBI:72313]
ChEBI Compound Description  "An aspartate salt that is the diaspartate salt of pasireotide. A somatostatin analogue with pharmacologic properties mimicking those of the natural hormone somatostatin; used for treatment of Cushing's disease."
ChEBI Compound Identification Number  72313
ChEBI InChI Value  "InChI=1S/C58H66N10O9.2C4H7NO4/c59-27-13-12-22-46-52(69)64-47(30-38-23-25-42(26-24-38)76-36-39-16-6-2-7-17-39)53(70)66-49(31-37-14-4-1-5-15-37)57(74)68-35-43(77-58(75)61-29-28-60)33-50(68)55(72)67-51(40-18-8-3-9-19-40)56(73)65-48(54(71)63-46)32-41-34-62-45-21-11-10-20-44(41)45;2*5-2(4(8)9)1-3(6)7/h1-11,14-21,23-26,34,43,46-51,62H,12-13,22,27-33,35-36,59-60H2,(H,61,75)(H,63,71)(H,64,69)(H,65,73)(H,66,70)(H,67,72);2*2H,1,5H2,(H,6,7)(H,8,9)/t43-,46+,47+,48-,49+,50+,51+;2*2-/m100/s1"
ChEBI InChIKey Value  NEEFMPSSNFRRNC-HQUONIRXSA-N
ChEBI Compound Name  pasireotide aspartate
ChEBI SMILES Value  N[C@@H](CC(O)=O)C(O)=O.N[C@@H](CC(O)=O)C(O)=O.NCCCC[C@@H]1NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](NC(=O)[C@@H]2C[C@H](CN2C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(OCc3ccccc3)cc2)NC1=O)OC(=O)NCCN)c1ccccc1
ChEBI Substance ID  160962862
ChEBI URL  ChEBI:72313
ChemSpider ID  NS
Ontomatica Chemical Accession Key (OnChAKey)  NEEFMPSSNFRRNC_HQUONIRXSA_N_000_000000
PubChem Compound ID  70788982