Anodyne| Ergocornine | |
|---|---|
| Molecular structure via molpic based on CDK |
| Conformer [] | |
|---|---|
| Physical properties [] | |
|---|---|
| Molecular mass | 561.7 g/mol [1] |
| Predicted LogP | 2.4 [1] |
| Structural Identifiers [] | |
|---|---|
| Molecular formula | C31H39N5O5 [1] |
| IUPAC name | (6aR,9R)-N-[(1S,2S,4R,7S)-2-hydroxy-5,8-dioxo-4,7-di(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 [1] |
| SMILES | CC(C)[C@H]1C(=O)N2CCC[C@H]2[C@]3(N1C(=O)[C@](O3)(C(C)C)NC(=O)[C@H]4CN([C@@H]5CC6=CNC7=CC=CC(=C67)C5=C4)C)O [1] |
| InChI | InChI=1S/C31H39N5O5/c1-16(2)26-28(38)35-11-7-10-24(35)31(40)36(26)29(39)30(41-31,17(3)4)33-27(37)19-12-21-20-8-6-9-22-25(20)18(14-32-22)13-23(21)34(5)15-19/h6,8-9,12,14,16-17,19,23-24,26,32,40H,7,10-11,13,15H2,1-5H3,(H,33,37)/t19-,23-,24+,26+,30-,31+/m1/s1 [1] |
| InChIKey | UJYGDMFEEDNVBF-OGGGUQDZSA-N [1] |
Ergocornine
Ergocornine (also known as Ergocornin, 12'-Hydroxy-2',5'-α-bis(1-methylethyl)ergotaman-3',6',18-trione, 12'-hydroxy-3',6',18-trioxo-2',5'α-di(propan-2-yl)ergotaman, ergocorine mesylate, (6aR,9R)-N-((1S,2S,4R,7S)-2-hydroxy-5,8-dioxo-4,7-di(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, Ergocorine phosphate, 209-272-7, N-(2-hydroxy-5,8-dioxo-4,7-bis(propan-2-yl)-3-oxa-6,9-diazatricyclo(7.3.0.02,6)dodecan-4-yl)-6-methyl-6,11-diazatetracyclo(7.6.1.02,7.012,16)hexadeca-1(16),2,9,12,14-pentaene-4-carboxamide, Mls000069342 or Smr000058938)
Chemistry
Stereochemistry []
Ergocornine is a achiral mixture
See also []
External links []
References []
National Center for Biotechnology Information. PubChem Compound Summary for CID 73453, Ergocornine. Accessed July 27, 2025. https://pubchem.ncbi.nlm.nih.gov/compound/73453