Products 81149-12-4

CAS 81149-12-4 appears in our catalog under these names: (5'Alpha,10Alpha)-1-Demethyl-9,10-dihydro-12'-hydroxy-2'-methyl-5'-(phenylmethyl)-2,3(2H,3H)-secoergotaman-3,3',6',18-tetrone, (5'a,10a)-1-Demethyl-9,10-dihydro-12'-hydroxy-2'-methyl-5'-(phenylmethyl)-2,3(2H,3H)-secoergotaman-3,3',6',18-tetrone. Offered by: TRC. Available pack sizes: 0,25mg, 1mg, 2,5mg.

Structural formula: {0} (CAS {1})

(2R,4aR,10bR)-7-amino-N-[(1S,2S,4R,7S)-7-benzyl-2-hydroxy-4-methyl-5,8-dioxo-3-oxa-6,9-diazatricyclo[7.3.0.02,6]dodecan-4-yl]-4-methyl-6-oxo-1,2,3,4a,5,10b-hexahydrobenzo[f]quinoline-2-carboxamide (CAS 81149-12-4) is a chemical compound with the molecular formula C32H37N5O6 and a molecular weight of 587.7 g/mol. IUPAC name: (2R,4aR,10bR)-7-amino-N-[(1S,2S,4R,7S)-7-benzyl-2-hydroxy-4-methyl-5,8-dioxo-3-oxa-6,9-diazatricyclo[7.3.0.02,6]dodecan-4-yl]-4-methyl-6-oxo-1,2,3,4a,5,10b-hexahydrobenzo[f]quinoline-2-carboxamide. InChIKey: LFGNPVZUOHABSN-PZHANVKFSA-N.

Identity
Molecular formulaC32H37N5O6
Molecular weight587.7 g/mol
IUPAC name(2R,4aR,10bR)-7-amino-N-[(1S,2S,4R,7S)-7-benzyl-2-hydroxy-4-methyl-5,8-dioxo-3-oxa-6,9-diazatricyclo[7.3.0.02,6]dodecan-4-yl]-4-methyl-6-oxo-1,2,3,4a,5,10b-hexahydrobenzo[f]quinoline-2-carboxamide
InChIKeyLFGNPVZUOHABSN-PZHANVKFSA-N
SMILESC[C@@]1(C(=O)N2[C@H](C(=O)N3CCC[C@H]3[C@@]2(O1)O)CC4=CC=CC=C4)NC(=O)[C@@H]5C[C@H]6[C@@H](CC(=O)C7=C6C=CC=C7N)N(C5)C

Computed by PubChem (NCBI)