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Degarelix
Degarelix / CAS : 214766-78-6
| Appearance | White crystal particles | UN | 0.0 |
| HS | 0.0 | DG Class | 0.0 |
| Synonyms | Degarelix Acetate; N-Acetyl-3-(2-Naphthyl)-D-Alanyl-4-Chloro-D-Phenylalanyl-3-(3-Pyridyl)-D-Alanyl-L-Seryl-4-[2,6-Dioxohexahydropyrimidin-4(S)-Ylcarboxamido]-L-Phenylalanyl-4-Ureido-D-Phenylalanyl-L-Leucyl-N6-Isopropyl-L-Lysyl-L-Prolyl-D-Alaninamide Acetate; Degarelix Acetate Salt; D-Alaninamide, N-Acetyl-3-(Naphtalen-2-Yl)-D-Alanyl-4-Chloro-D-Phenylalanyl-3-(Pyridin-3-Yl)-D-Alanyl-L-Seryl-4-((((4S)-2,6-Dioxohexahydropyrimidin-4-Yl)Carbonyl)Amino)-L-Phenylalanyl-4-(Carbamoylamino)-D-Phenylalanyl-L-Leucyl-N6-(1-Methylethyl)-L-Lysyl-L-Prolyl-; Degarelix Acetate(Fe-200486,Degarelix); Firmagon; Degarelix, Degarelix Acetate | ||
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RFQ
Properties
Summary
Formula
C82H103ClN18O16
Molecular Mass
1632.26
Exact Mass
1630.75000
PSA
512.87000
Logp
7.56580
IUPAC
(4S)-N-[4-[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-acetamido-3-naphthalen-2-ylpropanoyl]amino]-3-(4-chlorophenyl)propanoyl]amino]-3-pyridin-3-ylpropanoyl]amino]-3-hydroxypropanoyl]amino]-3-[[(2R)-1-[[(2S)-1-[[(2S)-1-[(2S)-2-[[(2R)-1-amino-1-oxopropan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxo-6-(propan-2-ylamino)hexan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-[4-(carbamoylamino)phenyl]-1-oxopropan-2-yl]amino]-3-oxopropyl]phenyl]-2,6-dioxo-1,3-diazinane-4-carboxamide
SMILES
C[C@H](C(=O)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCNC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC2=CC=C(C=C2)NC(=O)N)NC(=O)[C@H](CC3=CC=C(C=C3)NC(=O)[C@@H]4CC(=O)NC(=O)N4)NC(=O)[C@H](CO)NC(=O)[C@@H](CC5=CN=CC=C5)NC(=O)[C@@H](CC6=CC=C(C=C6)Cl)NC(=O)[C@@H](CC7=CC8=CC=CC=C8C=C7)NC(=O)C
Attribute classification
Matter Classification
organic
Category
Organic Chemical Materials > Halides
API & Intermediate > Hormones And Endocrine Drugs
API & Intermediate > Hormones And Endocrine Drugs
Chemical and Physical Properties
Density
1.325±0.06 g/cm3(Predicted)
Appearance
White crystal particles
Export information
HS Code
0.0
UN No.
0.0
DG-Class
0.0
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