12'-Hydroxyergotaman-3',6',18-trione

Name: 12'-Hydroxyergotaman-3',6',18-trione
Brand: CoreyChem
SKU: CAS:34641-89-9
Price: Contact for pricing USD
Availability: InStock

(6aR,9R)-N-[(1S,2S,4R)-2-hydroxy-5,8-dioxo-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

Also Known As: 12'-Hydroxyergotaman-3',6',18-trione|KST-1A4170|Ergotaman-3',6',18-trione, 12'-hydroxy-|(5|A,8|A)-12'-hydroxy-3',6',18-trioxoergotaman|N-(10b-Hydroxy-3,6-dioxooctahydro-8H-[1,3]oxazolo[3,2-a]pyrrolo[2,1-c]pyrazin-2-yl)-6-methyl-9,10-didehydroergoline-8-carboximidic acid|N-[(2R,10aS,10bS)-10b-Hydroxy-3,6-dioxooctahydro-8H-[1,3]oxazolo[3,2-a]pyrrolo[2,1-c]pyrazin-2-yl]-6-methyl-9,10-didehydroergoline-8beta-carboximidic acid

CAS: 34641-89-9

Molecular Formula	`C25H27N5O5`
Molecular Weight	477.20123 g/mol
LogP	-0.01
Topological Polar Surface Area	118.21 Å²
Hydrogen Bond Donors	3
Hydrogen Bond Acceptors	6
Rotatable Bonds	2
Exact Mass	477.20123
Heavy Atoms	35
Complexity	1318.6

Chemical Identifiers

CAS Number	34641-89-9
SMILES	`CN1C[C@@H](C=C2[C@H]1CC3=CNC4=CC=CC2=C34)C(=O)N[C@H]5C(=O)N6CC(=O)N7CCC[C@H]7[C@@]6(O5)O`

Product Overview

12'-Hydroxyergotaman-3',6',18-trione (CAS 34641-89-9), with molecular formula C25H27N5O5 and molecular weight 477.20123 g/mol. IUPAC: (6aR,9R)-N-[(1S,2S,4R)-2-hydroxy-5,8-dioxo-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.

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