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Ibrexafungerp Citrate
Ibrexafungerp Citrate / CAS : 1965291-08-0
| Appearance | - | UN | - |
| HS | - | DG Class | - |
| Synonyms | Brexafemme; (1S,4AR,6AS,7R,8R,10AR,10BR,12AR,14R,15R)-15-((2R)- 2-Amino-2,3,3-Trimethylbutoxy)-1,6A,8,10A-Tetramethyl-8- ((2R)-3-Methylbutan-2-YL)-14-(5-(Pyridin-4-YL)-1H-1,2,4- Triazol-1-YL)-1,6,6A,7,8,9,10,10A,10B,11,12,12A-Dodecahydro-2H,4H-1,4A-Propanophenanthro(1,2-C)Pyran-7-Carboxylic ACID Compound WITH 2-Hydroxypropane-1,2,3-Tricarboxylic ACID (1:1); 4H-1,4a-Propano-2H-Phenanthro(1,2-C)Pyran-7-Carboxylic acid, 15-((2R)-2-Amino-2,3,3-Trimethylbutoxy)-8-((1R)-1,2-Dimethylpropyl)-1,6,6a,7,8,9,10,10a,10b,11,12,12a-Dodecahydro-1,6a,8,10a-Tetramethyl-14-(5-(4-Pyridinyl)-1H-1,2,4-Triazol-1-yl)-, (1S,4aR,6as; 4H-1,4A-Propano-2H-Phenanthro(1,2-C)Pyran-7-Carboxylic ACID, 15-((2R)-2-Amino-2,3,3-Trimethylbutoxy)-8-((1R)-1,2-Dimethylpropyl)-1,6,6A,7,8,9,10,10A,10B,11,12,12A-Dodecahydro-1,6A,8,10A-Tetramethyl-14-(5-(4-Pyridinyl)-1H-1,2,4-Triazol-1-YL)-, (1S,4AR,6AS,7R,8R,10AR,10BR,12AR,14R,15R)-, 2-Hydroxy-1,2,3-Propanetricarboxylate (1:1) | ||
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RFQ
Properties
Summary
Formula
C50H75N5O11
Molecular Mass
922.157
Exact Mass
921.546326
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;2-hydroxypropane-1,2,3-tricarboxylic 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.C(C(=O)O)C(CC(=O)O)(C(=O)O)O
Attribute classification
Matter Classification
organic
Category
Organic Chemical Materials > Carboxylic Acids and Derivatives
Chemical and Physical Properties
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