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Scy-078

SCY-078 / CAS : 1207753-03-4

Appearance - UN -
HS 29349990 DG Class -
Synonyms MK 3118; MK-3118; SCY 078; (1S,4aR,6aS,7R,8R,10aR,10bR,12aR,14R,15R)-15-[[(2R)-2-Amino-2,3,3-Trimethylbutyl]oxy]-8-[(1R)-1,2-Dimethylpropyl]-14-[5-(4-Pyridinyl)-1H-1,2,4-Triazol-1-yl]-1,6,6a,7,8,9,10,10a,10b,11,12,12a-Dodecahydro-1,6a,8,10a-Tetramethyl-4H-1,4a-Propano-2H-Phenanthro[1,2-c]Pyran-7-Carboxylic acid; Ibrexafungerp; Ibrexafungerp(SCY-078)
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Properties

Summary

Formula
C44H67N5O4
Molecular Mass
730.03400
Exact Mass
729.51900
PSA
125.38000
Logp
9.31870
IUPAC
(1R,5S,6R,7R,10R,11R,14R,15S,20R,21R)-21-[(2R)-2-amino-2,3,3-trimethylbutoxy]-5,7,10,15-tetramethyl-7-[(2R)-3-methylbutan-2-yl]-20-(5-pyridin-4-yl-1,2,4-triazol-1-yl)-17-oxapentacyclo[13.3.3.01,14.02,11.05,10]henicos-2-ene-6-carboxylic acid
SMILES
C[C@H](C(C)C)[C@]1(CC[C@@]2([C@H]3CC[C@H]4[C@]5(COC[C@]4(C3=CC[C@]2([C@@H]1C(=O)O)C)C[C@H]([C@@H]5OC[C@@](C)(C(C)(C)C)N)N6C(=NC=N6)C7=CC=NC=C7)C)C)C

Attribute classification

Matter Classification
organic
Category
API & Intermediate > Inhibitors

Chemical and Physical Properties

Density
1.22±0.1 g/cm3(Predicted)
Boiling Point
815.9±75.0 °C(Predicted)
Acidity and Basicity
acidness

Export information

HS Code
29349990
Export Rebate
10%

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