Gonadorelin acetateProduct ingredient for Gonadorelin
- Name
- Gonadorelin acetate
- Drug Entry
- Gonadorelin
Gonadorelin is another name for gonadotropin-releasing hormone (GnRH). It is a synthetic decapeptide prepared using solid phase peptide synthesis. GnRH is responsible for the release of follicle stimulating hormone and leutinizing hormone from the anterior pituitary.
- Accession Number
- DBSALT001155
- Structure
Structure for Gonadorelin acetate (DBSALT001155)
- Synonyms
- Not Available
- UNII
- 2RG1XQ1NYJ
- CAS Number
- 52699-48-6
- Weight
- Average: 1260.378
Monoisotopic: 1259.604719596 - Chemical Formula
- C57H81N17O16
- InChI Key
- OOBWZCWPKJOGPF-UHFFFAOYSA-N
- InChI
- InChI=1S/C55H75N17O13.C2H4O2.H2O/c1-29(2)19-38(49(80)67-37(9-5-17-60-55(57)58)54(85)72-18-6-10-43(72)53(84)62-25-44(56)75)66-46(77)26-63-47(78)39(20-30-11-13-33(74)14-12-30)68-52(83)42(27-73)71-50(81)40(21-31-23-61-35-8-4-3-7-34(31)35)69-51(82)41(22-32-24-59-28-64-32)70-48(79)36-15-16-45(76)65-36;1-2(3)4;/h3-4,7-8,11-14,23-24,28-29,36-43,61,73-74H,5-6,9-10,15-22,25-27H2,1-2H3,(H2,56,75)(H,59,64)(H,62,84)(H,63,78)(H,65,76)(H,66,77)(H,67,80)(H,68,83)(H,69,82)(H,70,79)(H,71,81)(H4,57,58,60);1H3,(H,3,4);1H2
- IUPAC Name
- N-[5-carbamimidamido-1-(2-{[(C-hydroxycarbonimidoyl)methyl]-C-hydroxycarbonimidoyl}pyrrolidin-1-yl)-1-oxopentan-2-yl]-2-({2-[(2-{[1,3-dihydroxy-2-({1-hydroxy-2-[(1-hydroxy-2-{[hydroxy(5-hydroxy-3,4-dihydro-2H-pyrrol-2-yl)methylidene]amino}-3-(1H-imidazol-5-yl)propylidene)amino]-3-(1H-indol-3-yl)propylidene}amino)propylidene]amino}-1-hydroxy-3-(4-hydroxyphenyl)propylidene)amino]-1-hydroxyethylidene}amino)-4-methylpentanimidic acid acetic acid hydrate
- SMILES
- O.CC(O)=O.CC(C)CC(N=C(O)CN=C(O)C(CC1=CC=C(O)C=C1)N=C(O)C(CO)N=C(O)C(CC1=CNC2=CC=CC=C12)N=C(O)C(CC1=CN=CN1)N=C(O)C1CCC(O)=N1)C(O)=NC(CCCNC(N)=N)C(=O)N1CCCC1C(O)=NCC(O)=N
- External Links
- ChemSpider
- 10152731
- Wikipedia
- Gonadorelin
- Predicted Properties
Property Value Source Water Solubility 0.0501 mg/mL ALOGPS logP 1.1 ALOGPS logP 0.46 Chemaxon logS -4.4 ALOGPS pKa (Strongest Acidic) 2.78 Chemaxon pKa (Strongest Basic) 11.9 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 27 Chemaxon Hydrogen Donor Count 18 Chemaxon Polar Surface Area 504.53 Å2 Chemaxon Rotatable Bond Count 31 Chemaxon Refractivity 328.43 m3·mol-1 Chemaxon Polarizability 121.77 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