Products 17479-19-5

CAS 17479-19-5 is the registry number for Dihydro Ergotamine Mesylate EP Impurity E (9,10-Dihydroergocristine). Offered by: Chemat Brand. Available pack sizes: on request.

Dihydro Ergotamine Mesylate EP Impurity E (9,10-Dihydroergocristine)
Chemat Brand
  • size: on request
  • Variants: 1
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Structural formula: {0} (CAS {1})

Dihydroergocristine is ergocristine in which a single bond replaces the double bond between positions 9 and 10. It is used as the mesylate salt for the symptomatic treatment of mental deterioration associated with cerebrovascular insufficiency and in peripheral vascular disease. It has a role as a vasodilator agent and an adrenergic antagonist. It is functionally related to an ergocristine. It derives from a hydride of an ergotaman.

Source: ChEBI

Identity
Molecular formulaC35H41N5O5
Molecular weight611.7 g/mol
IUPAC name(6aR,9R,10aR)-N-[(1S,2S,4R,7S)-7-benzyl-2-hydroxy-5,8-dioxo-4-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
InChIKeyDEQITUUQPICUMR-HJPBWRTMSA-N
SMILESCC(C)[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](CC7=CNC8=CC=CC6=C78)N(C5)C

Computed by PubChem (NCBI)

Synonyms: Dihydroergocristine, 9,10-Dihydroergocristine, DHEC, GNF-Pf-3462, Dihydroergocristin, Ergocristine, 9,10-dihydro-, Diertine, Prestwick0_000562, Prestwick1_000562, Prestwick2_000562
Related forms of this compound
(6aR,9R,10aR)-N-[(1S,2S,4S,7S)-7-benzyl-2-hydroxy-5,8-dioxo-4-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 C35H41N5O5