| Formula |
C19H23N3O2 |
| IUPAC Name |
(6ar,7r,9r)-n-[(1s)-2-hydroxy-1-methyl-ethyl]-7-methyl-6,6a,8,9-tetrahydroindolo[4,3-fg]quinoline-4-ium-9-carboxamide |
| Molecular Mass |
325.405 g·mol−1 |
| Heat of Formation |
-144.5 ± 16.7 kJ·mol−1 |
| Dipole Moment |
4.33 ± 1.08 D |
| Volume |
392.46 Å 3 |
| Surface Area |
337.76 Å 2 |
| HOMO Energy |
-8.34 ± 0.55 eV |
| LUMO Energy |
-0.38 ± eV |
| Point Group Symmetry |
C1
|
| Synonyms
|
- 9,10-didehydro-n-(2-hydroxy-1-methylethyl)-6-methylergoline-8beta(s)-carboxamide
- 9,10-didehydro-n-(alpha-(hydroxymethyl)ethyl)-6-methylergoline-8-beta-carboxamide
- basergin
- d-lysergic acid 1-hydroxymethylethylamide
- d-lysergic acid-l-propanolamide
- ergobasine
- ergoklinine
- ergoline-8-beta-carboxamide, 9,10-didehydro-n-((s)-2-hydroxy-1-methylethyl)-6-methyl-
- ergoline-8-carboxamide, 9,10-didehydro-n-(2-hydroxy-1-methylethyl)-6-methyl-, (8beta(s))-
- ergometrin
- ergonovine
- ergostetrine
- ergotocine
- l-lysergic-l(beta-hydroxyisopropylamide)
- lysergamide, n-((s)-2-hydroxy-1-methylethyl)-
- lysergic acid propanolamide
- margonovine
- n-(1-(hydroxymethyl)ethyl)-d-lysergamide
- n-(2-hydroxy-1-methylethyl)-d(+)-lysergamide
- n-(alpha-(hydroxymethyl)ethyl)-d-lysergamide
- neofemergen
- secacornin
- secometrin
- smp1_000118
|
| CAS Number(s) |
- 60-79-7
- 11002-48-5
- 78207-83-7
|
| InChIKey |
WVVSZNPYNCNODU-XTQGRXLLSA-N |
| QR Code |
Generate QR Code |
| Links |
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|
| DOI |
|
| Downloads |
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|
| Elements |
H
C
O
N
|
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