Produkty 561-94-4

CAS 561-94-4 to numer rejestracyjny substancji Ergosine. Oferty producentów: Chemat Brand, TRC, Dr. Ehrenstorfer, Biosynth. Dostępne opakowania: on request, 25mg, 0,5mg, 100mg.

Ergosine
Chemat Brand, TRC, Dr. Ehrenstorfer
  • opakowanie: on request, 25mg, 0,5mg, 100mg
  • Warianty: 4
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(6aR,9R)-N-[(1S,2S,4R,7S)-2-hydroxy-4-methyl-7-(2-methylpropyl)-5,8-dioxo-3-oxa-6,9-diazatricyclo[7.3.0.02,6]dodecan-4-yl]-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide (CAS 561-94-4) to związek chemiczny o wzorze sumarycznym C30H37N5O5 i masie molowej 547.6 g/mol. Nazwa systematyczna IUPAC: (6aR,9R)-N-[(1S,2S,4R,7S)-2-hydroxy-4-methyl-7-(2-methylpropyl)-5,8-dioxo-3-oxa-6,9-diazatricyclo[7.3.0.02,6]dodecan-4-yl]-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide. InChIKey: NESVMZOPWPCFAU-ZPRCMDFASA-N.

Dane identyfikacyjne
Wzór sumarycznyC30H37N5O5
Masa molowa547.6 g/mol
Nazwa IUPAC(6aR,9R)-N-[(1S,2S,4R,7S)-2-hydroxy-4-methyl-7-(2-methylpropyl)-5,8-dioxo-3-oxa-6,9-diazatricyclo[7.3.0.02,6]dodecan-4-yl]-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide
InChIKeyNESVMZOPWPCFAU-ZPRCMDFASA-N
SMILESCC(C)C[C@H]1C(=O)N2CCC[C@H]2[C@]3(N1C(=O)[C@](O3)(C)NC(=O)[C@H]4CN([C@@H]5CC6=CNC7=CC=CC(=C67)C5=C4)C)O

Dane obliczone przez PubChem (NCBI)

Synonimy: Ergosine, alpha-Ergosine, (5'alpha)-12'-hydroxy-2'-methyl-5'-(2-methylpropyl)-3',6',18-trioxoergotaman, (5'alpha)-12'-hydroxy-5'-isobutyl-2'-methyl-3',6',18-trioxoergotaman, (5'alpha)-12'-hydroxy-2'-methyl-5'-(2-methylpropyl)ergotaman-3',6',18-trione, ergosin, Ergosine (Ergoclavine), ERGOSINE [MI], 4-25-00-00961 (Beilstein Handbook Reference), 12'-Hydroxy-2'-methyl-5'alpha-(2-methylpropyl)-3',6',18-trioxoergotaman
Powiązane formy tego związku
(6aR,9S)-N-[(1S,2S,4R,7S)-2-hydroxy-4-methyl-7-(2-methylpropyl)-5,8-dioxo-3-oxa-6,9-diazatricyclo[7.3.0.02,6]dodecan-4-yl]-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide C30H37N5O5