Cyclosporin Impurity 13
Grundinformationen
- CAS
437611-17-1- Standard-SMILES
C/C=C/C[C@@H](C)[C@@H](O)[C@H]1C(=O)N[C@@H](CC)C(=O)N(C)CC(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](CC)C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@H](C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N(C)[C@@H](C(C)C)C(=O)N1C- InChIKey
IPDSMZFDGQKXHO-AYGVNIPJSA-N- Summenformel
- C61H109N11O12
- Durchschnittliche Molmasse
- 1.188,6 g/mol
- Monoisotopische Masse
- 1.187,82571795
Namen und Bezeichner
- Bevorzugter Name
- Cyclosporin Impurity 13
- IUPAC
- (3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-21,30-diethyl-33-[(E,1R,2R)-1-hydroxy-2-methylhex-4-enyl]-1,4,7,10,12,15,19,25,28-nonamethyl-6,9,18,24-tetrakis(2-methylpropyl)-3-propan-2-yl-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone
- Englischer Name
- [Abu]5-Cyclosporin
- Summenformel
- C61H109N11O12
- Molmasse
- 1188.61
Namen und Synonyme
437611-17-1Cyclosporin Impurity 13(3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-21,30-diethyl-33-((1R,2R,E)-1-hydroxy-2-methylhex-4-en-1-yl)-6,9,18,24-tetraisobutyl-3-isopropyl-1,4,7,10,12,15,19,25,28-nonamethyl-1,4,7,10,13,16,19,22,25,28,31-undecaazacyclotritriacontan-2,5,8,11,14,17,20,23,26,29,32-undecaone[Abu5]cyclosporin[Abu]5-CyclosporinCyclosporin Impurity 31Ciclosporin EP Impurity F10-[(2S)-2-Aminobutanoic acid]cyclosporin AXA32VC7B78SCHEMBL23382301Cyclosporin A, 10-[(2S)-2-aminobutanoic acid]-Ciclosporin EP Impurity F;<br>[Abu10]ciclosporin?A)
Weitere Namen anzeigen
Ciclosporin Impurity 14Ciclosporin Impurity 12Cyclosporin impurity 24Cyclosporin Impurity 25(Ciclosporin EP Impurity F)(3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-21,30-diethyl-33-((1R,2R,E)-1-hydroxy-2-methylhex-4-en-1-yl)-6,9,18,24-tetraisobutyl-3-isopropyl-1,4,7,10,12,15,19,25,28-nonamethyl-1,4,7,10,13,16,19,22,25,28,3
(3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-21,30-diethyl-33-[(E,1R,2R)-1-hydroxy-2-methylhex-4-enyl]-1,4,7,10,12,15,19,25,28-nonamethyl-6,9,18,24-tetrakis(2-methylpropyl)-3-propan-2-yl-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone10-[(2S)-2-Aminobutanoic acid]cyclosporin A (ACI); [Abu5]cyclosporin; (3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-21,30-diethyl-33-((1R,2R,E)-1-hydroxy-2-methylhex-4-en-1-yl)-6,9,18,24-tetraisobutyl-3-isopropyl-1,4,7,10,12,15,19,25,28-nonamethyl-1,4,7,10,13,16,19,22,25,28,31-undecaazacyclotritriacontan-2,5,8,11,14,17,20,23,26,29,32-undecaone
Datenbank-Bezeichner
- CAS
437611-17-1- PubChem CID
- 25209717
- UNII
- XA32VC7B78
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 7,1
- Polarare Oberfläche (TPSA)
- 279 Ų
- H-Brücken-Donoren
- 5
- H-Brücken-Akzeptoren
- 12
- Frei drehbare Bindungen
- 15
- Schwere Atome
- 84
- Formalladung
- 0
- Komplexität
- 2.290
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