The Drug-Drug Interactions Ontology - etorphine - Classes | NCBO BioPortal

The Drug-Drug Interactions Ontology

Last uploaded: February 11, 2016

Id	http://purl.obolibrary.org/obo/CHEBI_4912 http://purl.obolibrary.org/obo/CHEBI_4912
Preferred Name	etorphine
Synonyms	7-alpha-(1-(R)-Hydroxy-1-methylbutyl)-6,14-endo-ethenotetrahydrooripavine 7alpha-Etorphine 19-Propylorvinol (1R,2R,6S)-19-(2-hydroxypentan-2-yl)-15-methoxy-3-methyl-13-oxa-3-azahexacyclo[13.2.2.1^{2,8}.0^{1,6}.0^{6,14}.0^{7,12}]icosa-7,9,11,16-tetraen-11-ol C25H33NO4 etorfina etorphine Tetrahydro-7-alpha-(2-hydroxy-2-pentyl)-6,14-endo-ethenooripavine 7,8-Dihydro-7-alpha-(1-(R)-hydroxy-1-methylbutyl)-O(sup 6)-methyl-6,14-endo-ethenomorphine etorphinum 2R-[(4R,4aR,7R,7aR,12bS,14R)-7-methoxy-3-methyl-1,2,3,4,7,7a-hexahydro-4a,7-ethano-4,12-methano[1]benzofuro[3,2-e]isoquinolin-14-yl]pentan-2-ol See more See less
Type	http://www.w3.org/2002/07/owl#Class

prefLabel	etorphine
label	etorphine
DBSynonym	dea no. 9056 m99 7-alpha-etorphine etorphine hcl etorphine hydrochloride etorphinum [inn-latin] 19-propylorvinol See more See less
Definition	A morphinane alkaloid that has formula C25H33NO4.
has pharmacological target	http://purl.obolibrary.org/obo/dinto_0760 http://purl.obolibrary.org/obo/dinto_2787 http://purl.obolibrary.org/obo/dinto_3960
activates	http://purl.obolibrary.org/obo/dinto_0553 http://purl.obolibrary.org/obo/dinto_0760 http://purl.obolibrary.org/obo/dinto_3148 http://purl.obolibrary.org/obo/dinto_2787 http://purl.obolibrary.org/obo/dinto_3960
type	http://www.w3.org/2002/07/owl#Class
has role	http://purl.obolibrary.org/obo/CHEBI_35717 http://purl.obolibrary.org/obo/CHEBI_35482
InChIKey	InChIKey=QRHQPCRIZNMZIZ-MASJHSKDSA-N InChIKey=CAHCBJPUTCKATP-HBDRVVKHSA-N
Synonym	7-alpha-(1-(R)-Hydroxy-1-methylbutyl)-6,14-endo-ethenotetrahydrooripavine 7alpha-Etorphine 19-Propylorvinol (1R,2R,6S)-19-(2-hydroxypentan-2-yl)-15-methoxy-3-methyl-13-oxa-3-azahexacyclo[13.2.2.1^{2,8}.0^{1,6}.0^{6,14}.0^{7,12}]icosa-7,9,11,16-tetraen-11-ol C25H33NO4 etorfina etorphine Tetrahydro-7-alpha-(2-hydroxy-2-pentyl)-6,14-endo-ethenooripavine 7,8-Dihydro-7-alpha-(1-(R)-hydroxy-1-methylbutyl)-O(sup 6)-methyl-6,14-endo-ethenomorphine etorphinum 2R-[(4R,4aR,7R,7aR,12bS,14R)-7-methoxy-3-methyl-1,2,3,4,7,7a-hexahydro-4a,7-ethano-4,12-methano[1]benzofuro[3,2-e]isoquinolin-14-yl]pentan-2-ol See more See less
xref	Beilstein:4920991 CASRN:14521-96-1 PubChem Substance:46505591 KEGG COMPOUND:C11793 PubChem Compound:26721 ChEBI:4912 Patent:GB937214 ChemSpider:24895 Patent:BE618392 DrugBank:DB01497 Patent:US3763167 Wikipedia:http://en.wikipedia.org/wiki/Etorphine See more See less
CASRN	14521-96-1
prefixIRI	obo2:CHEBI_4912
related with	http://purl.obolibrary.org/obo/dinto_3192
SMILES	[H][C@]12CC3=C4C(OC5[C@@]4(CCN1C)[C@]21CC(C(C)(O)CCC)C5(OC)C=C1)=C(O)C=C3 [H][C@@]1(C[C@]23C=C[C@]1(OC)[C@@H]1Oc4cccc5C[C@H]2N(C)CC[C@@]31c45)[C@](C)(O)CCC
DBname	etorphine
InChI	InChI=1S/C25H33NO3/c1-5-9-22(2,27)18-15-23-10-11-25(18,28-4)21-24(23)12-13-26(3)19(23)14-16-7-6-8-17(29-21)20(16)24/h6-8,10-11,18-19,21,27H,5,9,12-15H2,1-4H3/t18-,19-,21-,22-,23-,24+,25-/m1/s1 InChI=1S/C25H33NO4/c1-5-8-22(2,28)17-14-23-9-10-25(17,29-4)21-24(23)11-12-26(3)18(23)13-15-6-7-16(27)20(30-21)19(15)24/h6-7,9-10,17-18,21,27-28H,5,8,11-14H2,1-4H3/t17?,18-,21?,22?,23-,24+,25?/m1/s1
DBBrand	immobilon
subClassOf	http://purl.obolibrary.org/obo/dinto_000055

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