Buserelin acetateProduct ingredient for Buserelin
- Name
- Buserelin acetate
- Drug Entry
- Buserelin
Buserelin is a synthetic peptide analog of the luteinizing hormone-releasing hormone (LHRH) agonist, which stimulates the pituitary gland's gonadotrophin-releasing hormone receptor (GnRHR). It is used in prostate cancer treatment.
- Accession Number
- DBSALT001170
- Structure
- Synonyms
- Buserelin acetate
- External IDs
- HOE 766 MP / HOE 766MP
- UNII
- 13U86G7YSP
- CAS Number
- 68630-75-1
- Weight
- Average: 1299.499
Monoisotopic: 1298.677156262 - Chemical Formula
- C62H90N16O15
- InChI Key
- PYMDEDHDQYLBRT-DRIHCAFSSA-N
- InChI
- InChI=1S/C60H86N16O13.C2H4O2/c1-7-64-57(87)48-15-11-23-76(48)58(88)41(14-10-22-65-59(61)62)69-51(81)42(24-33(2)3)70-56(86)47(31-89-60(4,5)6)75-52(82)43(25-34-16-18-37(78)19-17-34)71-55(85)46(30-77)74-53(83)44(26-35-28-66-39-13-9-8-12-38(35)39)72-54(84)45(27-36-29-63-32-67-36)73-50(80)40-20-21-49(79)68-40;1-2(3)4/h8-9,12-13,16-19,28-29,32-33,40-48,66,77-78H,7,10-11,14-15,20-27,30-31H2,1-6H3,(H,63,67)(H,64,87)(H,68,79)(H,69,81)(H,70,86)(H,71,85)(H,72,84)(H,73,80)(H,74,83)(H,75,82)(H4,61,62,65);1H3,(H,3,4)/t40-,41-,42-,43-,44-,45-,46-,47+,48-;/m0./s1
- IUPAC Name
- (2S)-1-[(2S)-2-[(2S)-2-[(2R)-3-(tert-butoxy)-2-[(2S)-2-[(2S)-3-hydroxy-2-[(2S)-2-[(2S)-3-(1H-imidazol-5-yl)-2-{[(2S)-5-oxopyrrolidin-2-yl]formamido}propanamido]-3-(1H-indol-3-yl)propanamido]propanamido]-3-(4-hydroxyphenyl)propanamido]propanamido]-4-methylpentanamido]-5-carbamimidamidopentanoyl]-N-ethylpyrrolidine-2-carboxamide; acetic acid
- SMILES
- 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](COC(C)(C)C)NC(=O)[C@H](CC1=CC=C(O)C=C1)NC(=O)[C@H](CO)NC(=O)[C@H](CC1=CNC2=C1C=CC=C2)NC(=O)[C@H](CC1=CN=CN1)NC(=O)[C@@H]1CCC(=O)N1
- External Links
- KEGG Compound
- C13301
- ChemSpider
- 45544
- ChEBI
- 31324
- ChEMBL
- CHEMBL2106198
- Wikipedia
- Buserelin
- Predicted Properties
Property Value Source logP -3.3 Chemaxon pKa (Strongest Acidic) 9.49 Chemaxon pKa (Strongest Basic) 11.85 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 17 Chemaxon Hydrogen Donor Count 16 Chemaxon Polar Surface Area 438.27 Å2 Chemaxon Rotatable Bond Count 33 Chemaxon Refractivity 334.23 m3·mol-1 Chemaxon Polarizability 129.76 Å3 Chemaxon Number of Rings 6 Chemaxon Bioavailability 0 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule Yes Chemaxon