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The Drug-Drug Interactions Ontology
Last uploaded:
February 11, 2016
| Id | http://purl.obolibrary.org/obo/CHEBI_27808
http://purl.obolibrary.org/obo/CHEBI_27808
|
|---|---|
| Preferred Name | heroin |
| Synonyms |
Heroin
Diacetylmorphine
(1S,5R,13R,14S,17R)-10-(acetyloxy)-4-methyl-12-oxa-4-azapentacyclo[9.6.1.0^{1,13}.0^{5,17}.0^{7,18}]octadeca-7(18),8,10,15-tetraen-14-yl acetate
3,6-Diacetylmorphine
C21H23NO5
Diamorphine
O,O'-Diacetylmorphine
(5alpha,6alpha)-7,8-Didehydro-4,5-epoxy-17-methylmorphinan-3,6-diol diacetate (ester)
7,8-Dihydro-4,5-alpha-epoxy-17-methylmorphinan-3,6-alpha-diol diacetate
17-methyl-7,8-didehydro-4,5alpha-epoxymorphinan-3,6alpha-diyl diacetate
|
| Type | http://www.w3.org/2002/07/owl#Class |
All Properties
| prefLabel | heroin
|
|---|---|
| label | heroin
|
| DBSynonym |
morphine diacetate
diamorphine
diacetylmorphine
|
| ATCCode | N02AA09
|
| Definition | A morphinane alkaloid that is morphine bearing two acetyl substituents on the O-3 and O-6 positions. As with other opioids, heroin is used as both an analgesic and a recreational drug. Frequent and regular administration is associated with tolerance and physical dependence, which may develop into addiction. Its use includes treatment for acute pain, such as in severe physical trauma, myocardial infarction, post-surgical pain, and chronic pain, including end-stage cancer and other terminal illnesses.
|
| altId |
CHEBI:5680
CHEBI:24528
|
| DBSalt | heroin hydrochloride
|
| has pharmacological target | |
| activates | |
| type | |
| has role | |
| InChIKey | InChIKey=GVGLGOZIDCSQPN-PVHGPHFFSA-N
|
| Synonym | Heroin
Diacetylmorphine
(1S,5R,13R,14S,17R)-10-(acetyloxy)-4-methyl-12-oxa-4-azapentacyclo[9.6.1.0^{1,13}.0^{5,17}.0^{7,18}]octadeca-7(18),8,10,15-tetraen-14-yl acetate
3,6-Diacetylmorphine
C21H23NO5
Diamorphine
O,O'-Diacetylmorphine
(5alpha,6alpha)-7,8-Didehydro-4,5-epoxy-17-methylmorphinan-3,6-diol diacetate (ester)
7,8-Dihydro-4,5-alpha-epoxy-17-methylmorphinan-3,6-alpha-diol diacetate
17-methyl-7,8-didehydro-4,5alpha-epoxymorphinan-3,6alpha-diyl diacetate
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|
| xref |
CiteXplore:20810225
CiteXplore:14534521
CiteXplore:10454516
CiteXplore:21527184
PubChem Compound:5462328
CiteXplore:11448454
CiteXplore:16333714
KEGG COMPOUND:C06534
CiteXplore:21608377
CiteXplore:20331562
CiteXplore:15843500
CiteXplore:20735218
CiteXplore:9918543
Reaxys:99261
ChEMBL:572505
ChEBI:27808
DrugBank:DB01452
CiteXplore:21568984
CiteXplore:15550572
CiteXplore:8893832
CASRN:561-27-3
CiteXplore:21309955
CiteXplore:21362452
CiteXplore:2352148
CiteXplore:8858977
CiteXplore:11557911
CiteXplore:21734607
CiteXplore:21235340
PharmGKB:PA452619
Wikipedia:http://en.wikipedia.org/wiki/Heroin
CiteXplore:15212982
ChemSpider:4575379
Drugs.com:http://www.drugs.com/heroin.html
CiteXplore:21452028
CiteXplore:16076083
NIST Chemistry WebBook:561-27-3
CiteXplore:15213301
PubChem Substance:46506839
CiteXplore:15772255
Wikipedia:Heroin
CiteXplore:20855171
CiteXplore:12965116
CiteXplore:20649590
CiteXplore:11441925
CiteXplore:21740578
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|
| CASRN | 561-27-3
|
| prefixIRI | obo2:CHEBI_27808
|
| SMILES |
[H][C@@]12OC3=C(OC(C)=O)C=CC4=C3[C@@]11CCN(C)[C@]([H])(C4)[C@]1([H])C=C[C@@H]2OC(C)=O
[H][C@]12C=C[C@H](OC(C)=O)[C@@H]3Oc4c(OC(C)=O)ccc5C[C@H]1N(C)CC[C@@]23c45
|
| may interact with | |
| DBname | heroin
|
| InChI | InChI=1S/C21H23NO5/c1-11(23)25-16-6-4-13-10-15-14-5-7-17(26-12(2)24)20-21(14,8-9-22(15)3)18(13)19(16)27-20/h4-7,14-15,17,20H,8-10H2,1-3H3/t14-,15+,17-,20-,21-/m0/s1
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| subClassOf |
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