Gonadorelin hydrochlorideProduct ingredient for Gonadorelin
- Name
- Gonadorelin hydrochloride
- 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
- DBSALT000982
- Structure
- Synonyms
- Gonadorelin HCl
- UNII
- 3PFC574ITA
- CAS Number
- 51952-41-1
- Weight
- Average: 1218.77
Monoisotopic: 1217.5497033 - Chemical Formula
- C55H76ClN17O13
- InChI Key
- CXLJLMYFZCNNQA-HBBGHHHDSA-N
- InChI
- InChI=1S/C55H75N17O13.ClH/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)61-25-44(56)75)66-46(77)26-62-47(78)39(20-30-11-13-34(74)14-12-30)68-52(83)42(27-73)71-51(82)40(22-32-21-31-7-3-4-8-35(31)64-32)70-50(81)41(23-33-24-59-28-63-33)69-48(79)36-15-16-45(76)65-36;/h3-4,7-8,11-14,21,24,28-29,36-43,64,73-74H,5-6,9-10,15-20,22-23,25-27H2,1-2H3,(H2,56,75)(H,59,63)(H,61,84)(H,62,78)(H,65,76)(H,66,77)(H,67,80)(H,68,83)(H,69,79)(H,70,81)(H,71,82)(H4,57,58,60);1H/t36-,37-,38-,39-,40-,41-,42-,43-;/m0./s1
- IUPAC Name
- (2S)-N-[(2S)-5-carbamimidamido-1-[(2S)-2-{[(C-hydroxycarbonimidoyl)methyl]-C-hydroxycarbonimidoyl}pyrrolidin-1-yl]-1-oxopentan-2-yl]-2-[(2-{[(2S)-2-{[(2S)-1,3-dihydroxy-2-{[(2S)-1-hydroxy-2-{[(2S)-1-hydroxy-2-({hydroxy[(2S)-5-hydroxy-3,4-dihydro-2H-pyrrol-2-yl]methylidene}amino)-3-(1H-imidazol-5-yl)propylidene]amino}-3-(1H-indol-2-yl)propylidene]amino}propylidene]amino}-1-hydroxy-3-(4-hydroxyphenyl)propylidene]amino}-1-hydroxyethylidene)amino]-4-methylpentanimidic acid hydrochloride
- SMILES
- Cl.[H][C@@](CO)(N=C(O)[C@]([H])(CC1=CC2=CC=CC=C2N1)N=C(O)[C@]([H])(CC1=CN=CN1)N=C(O)[C@]1([H])CCC(O)=N1)C(O)=N[C@@]([H])(CC1=CC=C(O)C=C1)C(O)=NCC(O)=N[C@@]([H])(CC(C)C)C(O)=N[C@@]([H])(CCCNC(N)=N)C(=O)N1CCC[C@@]1([H])C(O)=NCC(O)=N
- External Links
- ChemSpider
- 32702167
- Wikipedia
- Gonadorelin
- Predicted Properties
Property Value Source Water Solubility 0.0498 mg/mL ALOGPS logP 1.11 ALOGPS logP 0.15 Chemaxon logS -4.4 ALOGPS pKa (Strongest Acidic) 2.79 Chemaxon pKa (Strongest Basic) 11.9 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 27 Chemaxon Hydrogen Donor Count 18 Chemaxon Polar Surface Area 504.53 Å2 Chemaxon Rotatable Bond Count 31 Chemaxon Refractivity 328.42 m3·mol-1 Chemaxon Polarizability 122.85 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