Products 511-07-9

CAS 511-07-9 appears in our catalog under these names: Ergocristinine, Isoergocristine. Offered by: Chemat Brand, TRC, Dr. Ehrenstorfer. Available pack sizes: on request, 0,5mg, 0,125mg.

Ergocristinine
Chemat Brand, Dr. Ehrenstorfer
  • size: on request, 0,125mg
  • Variants: 2
View product
Isoergocristine
TRC
  • size: 0,5mg
  • Variants: 1
View product
Structural formula: {0} (CAS {1})

(6aR,9S)-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-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide (CAS 511-07-9) is a chemical compound with the molecular formula C35H39N5O5 and a molecular weight of 609.7 g/mol. IUPAC name: (6aR,9S)-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-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide. InChIKey: HEFIYUQVAZFDEE-NASJTFDLSA-N.

Identity
Molecular formulaC35H39N5O5
Molecular weight609.7 g/mol
IUPAC name(6aR,9S)-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-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide
InChIKeyHEFIYUQVAZFDEE-NASJTFDLSA-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]5CN([C@@H]6CC7=CNC8=CC=CC(=C78)C6=C5)C

Computed by PubChem (NCBI)

Synonyms: Ergocristinine, Isoergocristine, ergocristine, (5'alpha,8alpha)-isomer, (8alpha)-5'alpha-Benzyl-12'-hydroxy-2'-isopropylergotaman-3',6',18-trione, Ergocristinin, HEFIYUQVAZFDEE-NASJTFDLSA-N, 5'alpha-Benzyl-12'-hydroxy-3',6',18-trioxo-2'-(propan-2-yl)-8alpha-ergotaman
Related forms of this compound
(6aR,9R)-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-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide C35H39N5O5