Surfagon
Basic information
- CAS
52435-06-0- Standard SMILES
CCNC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)C(CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)C1CCC(=O)N1- InChIKey
QLGKMLRGKPKGKI-MUVLZESKSA-N- Molecular formula
- C56H78N16O12
- Average molar mass
- 1,167.3 g/mol
- Monoisotopic mass
- 1,166.59851199
Overview
potent LHRH agonist; RN given refers to (D-Ala-L-Pro)-isomer
Names & identifiers
- Preferred name
- Surfagon
- IUPAC
- N-[(2S)-1-[[(2S)-1-[[1-[[(2S)-1-[[(2R)-1-[[(2S)-1-[[(2S)-5-(diaminomethylideneamino)-1-[(2S)-2-(ethylcarbamoyl)pyrrolidin-1-yl]-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-5-oxopyrrolidine-2-carboxamide
- English name
- [des-gly10, d-ala6]-lh-rh ethylamide acetate hydrate
- Molecular formula
- C56H78N16O12
- Molecular weight
- 1167.32
Names & synonyms
SurfagonLHRH-A252435-06-0AY-25,2056-Ala-9-N-Et-ProNH2-10-des-GlyNH2-LHRHAla-Pro-NHET-LHRHRefChem:186824GnRH, Ala(6)-N-Et-ProNH2(9)-LHRH, Ala(6)-N-Et-ProNH2(9)-AY 25205LHRH, alanyl(6)-N-ethylprolinamide(9)-Ala(6)-des-Gly(10)-Pro(9)-ethylamide GnRH
Show more names
LRH-AAY25AY 25AY-25LHRH-AWy-18481AY-25205leuprolideIS
GnRH, des-Gly(10)-D-Ala(6)-proethylamide(9)-alanyl(6)-des-glycyl(10)-prolyl(9)-ethylamide GnRHDalarelineTAP 127BRN 0906592WY 18481leuprolide IS(Des-Gly10,D-Ala6,Pro-NHEt9)-LHRH
Database identifiers
- CAS
52435-06-0
Properties
Computed structural properties
- XLogP
- -0.6
- Topological polar surface area
- 432 Ų
- Hydrogen bond donors
- 15
- Hydrogen bond acceptors
- 14
- Rotatable bonds
- 30
- Heavy atoms
- 84
- Formal charge
- 0
- Complexity
- 2,320
Physicochemical properties
- Density
- 1.48 · 1.48±0.1 g/cm3(Predicted)
- pka
- 9.82 · 9.82±0.15(Predicted)
- form
- Solid
- color
- White to off-white
- Sequence
- {Pyr}-His-Trp-Ser-Tyr-{d-Ala}-Leu-Arg-Pro-NHEt
- FDA UNII
- 328 SUA7 · NJS328SUA7
- Symbol(GHS)
- 8 · GHS08
- Signal word
- Danger
- Hazard statements
- 360 · H360
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H360 (100%): May damage fertility or the unborn child [Danger Reproductive toxicity]
P203, P280, P318, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesRepr. 1A (100%)
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS08
- Hazard statements
- H360
Chemistry & industry
Applications
Uses(Des-Gly10,D-Ala6,Pro-NHEt9)-LHRH (Surfagon, Mwt 1167.34 Da) is an agonist of gonadotropin-releasing hormone (GnRH). (Des-Gly10,D-Ala6,Pro-NHEt9)-LHRH can be used as an internal standard for the LC-MS analysis of leuprorelide acetate. (Des-Gly10,D-Ala6,Pro-NHEt9)-LHRH has potential applications in biochemical analysis and fertility[1][2][3].
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Compound notes
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