Products 1356841-81-0

CAS 1356841-81-0 is the registry number for Dihydro Ergotamine-13C,d3 Mesylate, >95% (HPLC). Offered by: TRC. Available pack sizes: 0,5mg, 5mg.

Dihydro Ergotamine-13C,d3 Mesylate, >95% (HPLC)
TRC
  • size: 0,5mg, 5mg
  • Variants: 2
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Structural formula: {0} (CAS {1})

(6aR,9R)-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]-7-(trideuterio(113C)methyl)-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide;methanesulfonic acid (CAS 1356841-81-0) is a chemical compound with the molecular formula C34H41N5O8S and a molecular weight of 683.8 g/mol. IUPAC name: (6aR,9R)-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]-7-(trideuterio(113C)methyl)-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide;methanesulfonic acid. InChIKey: ADYPXRFPBQGGAH-UXFLAZELSA-N.

Identity
Molecular formulaC34H41N5O8S
Molecular weight683.8 g/mol
IUPAC name(6aR,9R)-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]-7-(trideuterio(113C)methyl)-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide;methanesulfonic acid
InChIKeyADYPXRFPBQGGAH-UXFLAZELSA-N
SMILES[2H][13C]([2H])([2H])N1C[C@@H](CC2[C@H]1CC3=CNC4=CC=CC2=C34)C(=O)N[C@]5(C(=O)N6[C@H](C(=O)N7CCC[C@H]7[C@@]6(O5)O)CC8=CC=CC=C8)C.CS(=O)(=O)O

Computed by PubChem (NCBI)

Synonyms: Dihydro Ergotamine-13C,d3 Mesylate
Related forms of this compound
(6aR,9R,10aR)-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]-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide;methanesulfonic acid C34H41N5O8S