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The Drug-Drug Interactions Ontology
Last uploaded:
February 11, 2016
| Id | http://purl.obolibrary.org/obo/dinto_DB02673
http://purl.obolibrary.org/obo/dinto_DB02673
|
|---|---|
| Preferred Name | (4ar,6s,8ar)-11-[8-(1,3-dioxo-1,3-dihydro-2h-isoindol-2-yl)octyl]-6-hydroxy-3-methoxy-5,6,9,10-tetrahydro-4ah-[1]benzofuro[3a,3,2-ef][2]benzazepin-11-ium |
| Synonyms |
(1R,12R,14S)-4-[8-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)octyl]-14-hydroxy-9-methoxy-11-oxa-4-azatetracyclo[8.6.1.0^{1,12}.0^{6,17}]heptadeca-4,6,8,10(17),15-pentaen-4-ium
C32H37N2O5
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| Type | http://www.w3.org/2002/07/owl#Class |
All Properties
| prefLabel | (4ar,6s,8ar)-11-[8-(1,3-dioxo-1,3-dihydro-2h-isoindol-2-yl)octyl]-6-hydroxy-3-methoxy-5,6,9,10-tetrahydro-4ah-[1]benzofuro[3a,3,2-ef][2]benzazepin-11-ium
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|---|---|
| label | (4ar,6s,8ar)-11-[8-(1,3-dioxo-1,3-dihydro-2h-isoindol-2-yl)octyl]-6-hydroxy-3-methoxy-5,6,9,10-tetrahydro-4ah-[1]benzofuro[3a,3,2-ef][2]benzazepin-11-ium
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| type | |
| InChIKey | InChIKey=VLGAHTYYCHWLNI-YYKZIPJASA-N
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| Synonym | (1R,12R,14S)-4-[8-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)octyl]-14-hydroxy-9-methoxy-11-oxa-4-azatetracyclo[8.6.1.0^{1,12}.0^{6,17}]heptadeca-4,6,8,10(17),15-pentaen-4-ium
C32H37N2O5
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| xref |
PubChem Compound:21158810
PDB:GL8
BindingDB:10406
PubChem Substance:46504838
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| prefixIRI | obo2:dinto_DB02673
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| related with | |
| SMILES | COC1=CC=C2C=[N+](CCCCCCCCN3C(=O)C4=CC=CC=C4C3=O)CC[C@]34C=C[C@@H](O)C[C@H]3OC1=C24
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| InChI | InChI=1S/C32H37N2O5/c1-38-26-13-12-22-21-33(19-16-32-15-14-23(35)20-27(32)39-29(26)28(22)32)17-8-4-2-3-5-9-18-34-30(36)24-10-6-7-11-25(24)31(34)37/h6-7,10-15,21,23,27,35H,2-5,8-9,16-20H2,1H3/q+1/t23-,27-,32-/m1/s1
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| subClassOf |
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