Products 25447-65-8

CAS 25447-65-8 appears in our catalog under these names: Dihydroergocornine (Dihydroergocristine Mesilate EP Impurity F), 9,10-Dihydroergocornine. Offered by: Chemat Brand, TRC. Available pack sizes: on request, 25mg.

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

Dihydroergocornine is ergocornine in which a single bond replaces the double bond between positions 9 and 10. It is functionally related to an ergocornine. It derives from a hydride of an ergotaman.

Source: ChEBI

Identity
Molecular formulaC31H41N5O5
Molecular weight563.7 g/mol
IUPAC name(6aR,9R,10aR)-N-[(1S,2S,4R,7S)-2-hydroxy-5,8-dioxo-4,7-di(propan-2-yl)-3-oxa-6,9-diazatricyclo[7.3.0.02,6]dodecan-4-yl]-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide
InChIKeySEALOBQTUQIVGU-QNIJNHAOSA-N
SMILESCC(C)[C@H]1C(=O)N2CCC[C@H]2[C@]3(N1C(=O)[C@](O3)(C(C)C)NC(=O)[C@@H]4C[C@H]5[C@@H](CC6=CNC7=CC=CC5=C67)N(C4)C)O

Computed by PubChem (NCBI)