Gonadorelin diacetate tetrahydrateProduct ingredient for Gonadorelin
- Name
- Gonadorelin diacetate tetrahydrate
- 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
- DBSALT000983
- Structure
Structure for Gonadorelin diacetate tetrahydrate (DBSALT000983)
- Synonyms
- Not Available
- UNII
- L8CRY8PWF2
- CAS Number
- Not Available
- Weight
- Average: 1374.475
Monoisotopic: 1373.657543018 - Chemical Formula
- C59H91N17O21
- InChI Key
- QZBIKDNLZRFYMZ-KYOBJPNESA-N
- InChI
- InChI=1S/C55H75N17O13.2C2H4O2.4H2O/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;2*1-2(3)4;;;;/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);2*1H3,(H,3,4);4*1H2/t36-,37-,38-,39-,40-,41-,42-,43-;;;;;;/m0....../s1
- IUPAC Name
- (2S)-N-[(2S)-5-carbamimidamido-1-[(2S)-2-[(carbamoylmethyl)carbamoyl]pyrrolidin-1-yl]-1-oxopentan-2-yl]-2-{2-[(2S)-2-[(2S)-3-hydroxy-2-[(2S)-2-[(2S)-3-(1H-imidazol-4-yl)-2-{[(2S)-5-oxopyrrolidin-2-yl]formamido}propanamido]-3-(1H-indol-2-yl)propanamido]propanamido]-3-(4-hydroxyphenyl)propanamido]acetamido}-4-methylpentanamide bis(acetic acid) tetrahydrate
- SMILES
- O.O.O.O.CC(O)=O.CC(O)=O.CC(C)C[C@H](NC(=O)CNC(=O)[C@H](CC1=CC=C(O)C=C1)NC(=O)[C@H](CO)NC(=O)[C@H](CC1=CC2=CC=CC=C2N1)NC(=O)[C@H](CC1=CNC=N1)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)NCC(N)=O
- External Links
- ChemSpider
- 32700163
- Predicted Properties
Property Value Source Water Solubility 0.0519 mg/mL ALOGPS logP 0.03 ALOGPS logP -6.2 Chemaxon logS -4.4 ALOGPS pKa (Strongest Acidic) 9.49 Chemaxon pKa (Strongest Basic) 11.87 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 17 Chemaxon Hydrogen Donor Count 17 Chemaxon Polar Surface Area 472.13 Å2 Chemaxon Rotatable Bond Count 31 Chemaxon Refractivity 312.22 m3·mol-1 Chemaxon Polarizability 121.45 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