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histrelin acetate
An acetate salt obtained by combining histrelin with acetic acid. The amount of acetic acid present can vary and a variable amount of water may be present. Histrelin acetate is used as a subcutaneous hydrogel implant for the treatment of prostate cancer and for the suppression of gonadal sex hormone production in children with central precocious puberty.


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03. Biological Effects of Specific Chemicals: pharmacological uses [CHEBI:52210] > agonist [CHEBI:48705] > hormone agonist [CHEBI:51060]
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03. Biological Effects of Specific Chemicals 
03. Biological Effects of Specific Chemicals
 pharmacological uses [CHEBI:52210] (736) 
 agonist [CHEBI:48705] (68) 
 hormone agonist [CHEBI:51060] (13) 
 gonadotropin releasing hormone agonist [CHEBI:63533] (6) 
 histrelin acetate [CHEBI:63530] (1)
05. Industrial Uses 
05. Industrial Uses
 pharmaceutical [CHEBI:52217] (1978) 
 drug [CHEBI:23888] (1930) 
 antineoplastic agent [CHEBI:35610] (760) 
 histrelin acetate [CHEBI:63530] (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) 
 acetate salt [CHEBI:59230] (12) 
 histrelin acetate [CHEBI:63530] (1)
ChEBI Compound Accession Identifier  [CHEBI:63530]
ChEBI Compound Description  An acetate salt obtained by combining histrelin with acetic acid. The amount of acetic acid present can vary and a variable amount of water may be present. Histrelin acetate is used as a subcutaneous hydrogel implant for the treatment of prostate cancer and for the suppression of gonadal sex hormone production in children with central precocious puberty.
ChEBI Compound Identification Number  63530
ChEBI InChI Value  "InChI=1S/C66H86N18O12.2C2H4O2/c1-4-70-64(95)55-17-11-25-84(55)65(96)48(16-10-24-71-66(67)68)76-58(89)49(26-38(2)3)77-62(93)53(30-43-34-83(37-74-43)33-40-12-6-5-7-13-40)81-59(90)50(27-39-18-20-44(86)21-19-39)78-63(94)54(35-85)82-60(91)51(28-41-31-72-46-15-9-8-14-45(41)46)79-61(92)52(29-42-32-69-36-73-42)80-57(88)47-22-23-56(87)75-47;2*1-2(3)4/h5-9,12-15,18-21,31-32,34,36-38,47-55,72,85-86H,4,10-11,16-17,22-30,33,35H2,1-3H3,(H,69,73)(H,70,95)(H,75,87)(H,76,89)(H,77,93)(H,78,94)(H,79,92)(H,80,88)(H,81,90)(H,82,91)(H4,67,68,71);2*1H3,(H,3,4)/t47-,48-,49-,50-,51-,52-,53+,54-,55-;;/m0../s1"
ChEBI InChIKey Value  BKEMVGVBBDMHKL-VYFXDUNUSA-N
ChEBI Compound Name  histrelin acetate
ChEBI SMILES Value  CC(O)=O.CC(O)=O.CCNC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1cn(Cc2ccccc2)cn1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H]1CCC(=O)N1
ChEBI Substance ID  135610763
ChEBI URL  ChEBI:63530
ChemSpider ID  26606349
Ontomatica Chemical Accession Key (OnChAKey)  BKEMVGVBBDMHKL_VYFXDUNUSA_N_000_000000
PubChem Compound ID  56927879