Goserelin acetateProduct ingredient for Goserelin
- Name
- Goserelin acetate
- Drug Entry
- Goserelin
Goserelin is a synthetic hormone. In men, it stops the production of the hormone testosterone, which may stimulate the growth of cancer cells. In women, goserelin decreases the production of the hormone estradiol (which may stimulate the growth of cancer cells) to levels similar to a postmenopausal state. When the medication is stopped, hormone levels return to normal.
- Accession Number
- DBSALT000093
- Structure
Structure for Goserelin acetate (DBSALT000093)
- Synonyms
- Not Available
- UNII
- 6YUU2PV0U8
- CAS Number
- 145781-92-6
- Weight
- Average: 1329.4624
Monoisotopic: 1328.662568858 - Chemical Formula
- C61H88N18O16
- InChI Key
- IKDXDQDKCZPQSZ-JHYYTBFNSA-N
- InChI
- InChI=1S/C59H84N18O14.C2H4O2/c1-31(2)22-40(49(82)68-39(12-8-20-64-57(60)61)56(89)77-21-9-13-46(77)55(88)75-76-58(62)90)69-54(87)45(29-91-59(3,4)5)74-50(83)41(23-32-14-16-35(79)17-15-32)70-53(86)44(28-78)73-51(84)42(24-33-26-65-37-11-7-6-10-36(33)37)71-52(85)43(25-34-27-63-30-66-34)72-48(81)38-18-19-47(80)67-38;1-2(3)4/h6-7,10-11,14-17,26-27,30-31,38-46,65,78-79H,8-9,12-13,18-25,28-29H2,1-5H3,(H,63,66)(H,67,80)(H,68,82)(H,69,87)(H,70,86)(H,71,85)(H,72,81)(H,73,84)(H,74,83)(H,75,88)(H4,60,61,64)(H3,62,76,90);1H3,(H,3,4)/t38-,39-,40-,41-,42-,43-,44-,45+,46-;/m0./s1
- IUPAC Name
- (2S)-1-[(2S)-2-{[(2S)-2-{[(2R)-3-(tert-butoxy)-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-3-yl)propylidene]amino}propylidene]amino}-1-hydroxy-3-(4-hydroxyphenyl)propylidene]amino}-1-hydroxypropylidene]amino}-1-hydroxy-4-methylpentylidene]amino}-5-carbamimidamidopentanoyl]-N-[(C-hydroxycarbonimidoyl)amino]pyrrolidine-2-carboximidic acid; acetic acid
- SMILES
- CC(O)=O.[H][C@@](CO)(N=C(O)[C@]([H])(CC1=CNC2=CC=CC=C12)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)=N[C@]([H])(COC(C)(C)C)C(O)=N[C@@]([H])(CC(C)C)C(O)=N[C@@]([H])(CCCNC(N)=N)C(=O)N1CCC[C@@]1([H])C(O)=NNC(O)=N
- External Links
- PubChem Compound
- 16052011
- ChemSpider
- 10482272
- BindingDB
- 50247974
- ChEMBL
- CHEMBL1200501
- Wikipedia
- Goserelin
- Predicted Properties
Property Value Source Water Solubility 0.0493 mg/mL ALOGPS logP 1.55 ALOGPS logP 1.95 Chemaxon logS -4.4 ALOGPS pKa (Strongest Acidic) 2.71 Chemaxon pKa (Strongest Basic) 11.9 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 29 Chemaxon Hydrogen Donor Count 19 Chemaxon Polar Surface Area 525.79 Å2 Chemaxon Rotatable Bond Count 33 Chemaxon Refractivity 362.38 m3·mol-1 Chemaxon Polarizability 132.34 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