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The Drug-Drug Interactions Ontology
Last uploaded:
February 11, 2016
| Id | http://purl.obolibrary.org/obo/dinto_DB01287
http://purl.obolibrary.org/obo/dinto_DB01287
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|---|---|
| Preferred Name | dihydroergotoxine |
| Synonyms |
(4R,7R)-N-[(1S,2S,4R,7S)-7-benzyl-2-hydroxy-4-methyl-5,8-dioxo-3-oxa-6,9-diazatricyclo[7.3.0.0^{2,6}]dodecan-4-yl]-6-methyl-6,11-diazatetracyclo[7.6.1.0^{2,7}.0^{12,16}]hexadeca-1(16),9,12,14-tetraene-4-carboxamide; methanesulfonic acid
C34H41N5O8S
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| Type | http://www.w3.org/2002/07/owl#Class |
All Properties
| prefLabel | dihydroergotoxine
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|---|---|
| label | dihydroergotoxine
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| Definition | Dihydroergotoxine is a cerebral vasodilator. Dihydroergotoxine is a mixture of three different ergotamantriones: dihydroergocornine, dihydroergocristine, and dihydroergocryptine. It has been proposed to be a neuroprotective agent. The mechanism of its therapeutic actions is not clear.
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| induces | |
| activates | |
| type | |
| InChIKey | InChIKey=ADYPXRFPBQGGAH-WVVAGBSPSA-N
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| blocks | |
| Synonym | (4R,7R)-N-[(1S,2S,4R,7S)-7-benzyl-2-hydroxy-4-methyl-5,8-dioxo-3-oxa-6,9-diazatricyclo[7.3.0.0^{2,6}]dodecan-4-yl]-6-methyl-6,11-diazatetracyclo[7.6.1.0^{2,7}.0^{12,16}]hexadeca-1(16),9,12,14-tetraene-4-carboxamide; methanesulfonic acid
C34H41N5O8S
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| xref |
PubChem Compound:6420006
PubChem Substance:46505136
ChemSpider:4925595
PharmGKB:PA164752819
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| CASRN | 11032-41-0
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| prefixIRI | obo2:dinto_DB01287
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| SMILES | CS(O)(=O)=O.[H][C@@]12CCCN1C(=O)[C@H](CC1=CC=CC=C1)N1C(=O)[C@](C)(NC(=O)[C@@H]3CC4C5=C6C(C[C@@]4([H])N(C)C3)=CNC6=CC=C5)O[C@@]21O
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| may interact with |
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| InChI | InChI=1S/C33H37N5O5.CH4O3S/c1-32(35-29(39)21-15-23-22-10-6-11-24-28(22)20(17-34-24)16-25(23)36(2)18-21)31(41)38-26(14-19-8-4-3-5-9-19)30(40)37-13-7-12-27(37)33(38,42)43-32;1-5(2,3)4/h3-6,8-11,17,21,23,25-27,34,42H,7,12-16,18H2,1-2H3,(H,35,39);1H3,(H,2,3,4)/t21-,23?,25-,26+,27+,32-,33+;/m1./s1
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