ChemicalBook >> CAS DataBase List >>(5'α,10α)-1-DeMethyl-9,10-dihydro-12'-hydroxy-2'-Methyl-5'-(phenylMethyl)-2,3(2H,3H)-secoergotaMan-3,3',6',18-tetrone
(5'α,10α)-1-DeMethyl-9,10-dihydro-12'-hydroxy-2'-Methyl-5'-(phenylMethyl)-2,3(2H,3H)-secoergotaMan-3,3',6',18-tetrone
- CAS No.
- 81149-12-4
- Chemical Name:
- (5'α,10α)-1-DeMethyl-9,10-dihydro-12'-hydroxy-2'-Methyl-5'-(phenylMethyl)-2,3(2H,3H)-secoergotaMan-3,3',6',18-tetrone
- Synonyms
- Beta-seco-Dihydroergotamine;Dihydro Ergotamine Mesylate Impurity 1;(5a,10a)-1-Demethyl-9,10-dihydro-12-hydroxy-2-methyl-5-(phenylmethyl)-2,3(2H,3H)-secoergotaman-3,3,6;(5'α,10α)-1-DeMethyl-9,10-dihydro-12'-hydroxy-2'-Methyl-5'-(phenylMethyl)-2,3(2H,3H)-secoergotaMan-3,3',6',18-tetrone;(2R,4aR,10bR)-7-Amino-N-((2R,5S,10aS,10bS)-5-benzyl-10b-hydroxy-2-methyl-3,6-dioxooctahydro-8H-oxazolo[3,2-a]pyrrolo[2,1-c]pyrazin-2-yl)-4-methyl-6-oxo-1,2,3,4,4a,5,6,10b-octahydrobenzo[f]quinoline-2-carboxamide;Benzo[f]quinoline-2-carboxamide, 7-amino-1,2,3,4,4a,5,6,10b-octahydro-4-methyl-N-[(2R,5S,10aS,10bS)-octahydro-10b-hydroxy-2-methyl-3,6-dioxo-5-(phenylmethyl)-8H-oxazolo[3,2-a]pyrrolo[2,1-c]pyrazin-2-yl]-6-oxo-, (2R,4aR,10bR)-
- CBNumber:
- CB22694553
- Molecular Formula:
- C32H37N5O6
- Molecular Weight:
- 587.67
- MDL Number:
- MOL File:
- 81149-12-4.mol
Last updated:2023-04-23 13:52:06
(5'α,10α)-1-DeMethyl-9,10-dihydro-12'-hydroxy-2'-Methyl-5'-(phenylMethyl)-2,3(2H,3H)-secoergotaMan-3,3',6',18-tetrone Properties
| Melting point | >165°C (dec.) |
|---|---|
| Boiling point | 886.0±65.0 °C(Predicted) |
| Density | 1.45±0.1 g/cm3(Predicted) |
| storage temp. | -86°C Freezer, Under inert atmosphere |
| solubility | Chloroform (Slightly), Methanol (Slightly) |
| form | Solid |
| pka | 9?+-.0.60(Predicted) |
| color | Pale Yellow to Light Brown |
| Stability | Temperature Sensitive |
(5'α,10α)-1-DeMethyl-9,10-dihydro-12'-hydroxy-2'-Methyl-5'-(phenylMethyl)-2,3(2H,3H)-secoergotaMan-3,3',6',18-tetrone Chemical Properties,Uses,Production
Uses
(5''α,10α)-1-Demethyl-9,10-dihydro-12''-hydroxy-2''-methyl-5''-(phenylmethyl)-2,3(2H,3H)-secoergotaman-3,3'',6'',18-tetrone is a derivative of dihydroergotamine (D449080), a ergot alkaloid used to treat migraines.
Uses
(5'α,10α)-1-Demethyl-9,10-dihydro-12'-hydroxy-2'-methyl-5'-(phenylmethyl)-2,3(2H,3H)-secoergotaman-3,3',6',18-tetrone is a derivative of dihydroergotamine (D449080), a ergot alkaloid used to treat migraines.
(5'α,10α)-1-DeMethyl-9,10-dihydro-12'-hydroxy-2'-Methyl-5'-(phenylMethyl)-2,3(2H,3H)-secoergotaMan-3,3',6',18-tetrone Preparation Products And Raw materials
Raw materials
Preparation Products
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(5'α,10α)-1-DeMethyl-9,10-dihydro-12'-hydroxy-2'-Methyl-5'-(phenylMethyl)-2,3(2H,3H)-secoergotaMan-3,3',6',18-tetrone
Benzo[f]quinoline-2-carboxamide, 7-amino-1,2,3,4,4a,5,6,10b-octahydro-4-methyl-N-[(2R,5S,10aS,10bS)-octahydro-10b-hydroxy-2-methyl-3,6-dioxo-5-(phenylmethyl)-8H-oxazolo[3,2-a]pyrrolo[2,1-c]pyrazin-2-yl]-6-oxo-, (2R,4aR,10bR)-
Beta-seco-Dihydroergotamine
(5a,10a)-1-Demethyl-9,10-dihydro-12-hydroxy-2-methyl-5-(phenylmethyl)-2,3(2H,3H)-secoergotaman-3,3,6
(2R,4aR,10bR)-7-Amino-N-((2R,5S,10aS,10bS)-5-benzyl-10b-hydroxy-2-methyl-3,6-dioxooctahydro-8H-oxazolo[3,2-a]pyrrolo[2,1-c]pyrazin-2-yl)-4-methyl-6-oxo-1,2,3,4,4a,5,6,10b-octahydrobenzo[f]quinoline-2-carboxamide
Dihydro Ergotamine Mesylate Impurity 1
81149-12-4
C32H37N5O6
Metabolites & Impurities, Pharmaceuticals, Intermediates & Fine Chemicals