loading...| Preferred Name |
vecuronium |
|
| Synonyms |
C34H57N2O4 (2beta,3alpha,5alpha,16beta,17beta)-3,17-diacetoxy-16-(1-methylpiperidinium-1-yl)-2-(piperidin-1-yl)androstane 1-[(1S,2S,4S,5S,7S,10R,11S,13S,14R,15S)-5,14-bis(acetyloxy)-2,15-dimethyl-4-(piperidin-1-yl)tetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecan-13-yl]-1-methylpiperidin-1-ium |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_9939 |
|
| AHFScode |
12:20.00 |
|
| ATCCode |
M03AC03 |
|
| blocks | ||
| CASRN |
50700-72-6 |
|
| DBname |
vecuronium |
|
| Definition |
A 5alpha androstane compound having 3alpha-acetoxy-, 17beta-acetoxy-, 2beta-piperidino- and 16beta-N-methylpiperidinium substituents. |
|
| has effect |
http://purl.obolibrary.org/obo/OAE_0000376 http://purl.obolibrary.org/obo/OAE_0000021 http://purl.obolibrary.org/obo/OAE_0000333 http://purl.obolibrary.org/obo/OAE_0000539 http://purl.obolibrary.org/obo/OAE_0000770 http://purl.obolibrary.org/obo/OAE_0000454 http://purl.obolibrary.org/obo/OAE_0000551 http://purl.obolibrary.org/obo/OAE_0000645 |
|
| has pharmacological target | ||
| has role | ||
| InChI |
InChI=1S/C34H57N2O4/c1-23(37)39-31-20-25-12-13-26-27(34(25,4)22-29(31)35-16-8-6-9-17-35)14-15-33(3)28(26)21-30(32(33)40-24(2)38)36(5)18-10-7-11-19-36/h25-32H,6-22H2,1-5H3/q+1/t25-,26+,27-,28-,29-,30-,31-,32-,33-,34-/m0/s1 |
|
| InChIKey |
InChIKey=BGSZAXLLHYERSY-XQIGCQGXSA-N |
|
| inhibits | ||
| is transported by | ||
| label |
vecuronium |
|
| may interact with |
http://purl.obolibrary.org/obo/CHEBI_41879 http://purl.obolibrary.org/obo/dinto_DB01303 http://purl.obolibrary.org/obo/CHEBI_2948 http://purl.obolibrary.org/obo/CHEBI_8107 http://purl.obolibrary.org/obo/dinto_DB01223 http://purl.obolibrary.org/obo/dinto_DB01627 http://purl.obolibrary.org/obo/dinto_DB01380 http://purl.obolibrary.org/obo/dinto_DB01190 http://purl.obolibrary.org/obo/dinto_DB00781 http://purl.obolibrary.org/obo/CHEBI_3077 http://purl.obolibrary.org/obo/CHEBI_8382 http://purl.obolibrary.org/obo/CHEBI_17650 http://purl.obolibrary.org/obo/dinto_DB01285 http://purl.obolibrary.org/obo/dinto_DB00798 http://purl.obolibrary.org/obo/CHEBI_3387 http://purl.obolibrary.org/obo/CHEBI_50885 http://purl.obolibrary.org/obo/dinto_DB00955 http://purl.obolibrary.org/obo/dinto_DB00684 http://purl.obolibrary.org/obo/CHEBI_6888 http://purl.obolibrary.org/obo/CHEBI_28593 http://purl.obolibrary.org/obo/CHEBI_50667 http://purl.obolibrary.org/obo/CHEBI_59662 http://purl.obolibrary.org/obo/CHEBI_8378 http://purl.obolibrary.org/obo/CHEBI_2637 http://purl.obolibrary.org/obo/dinto_DB01320 http://purl.obolibrary.org/obo/CHEBI_15854 http://purl.obolibrary.org/obo/CHEBI_28177 |
|
| prefixIRI |
obo2:CHEBI_9939 |
|
| prefLabel |
vecuronium |
|
| SMILES |
[H][C@@]12C[C@@H]([C@H](OC(C)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])C[C@H](OC(C)=O)[C@H](C[C@]12C)N1CCCCC1)[N+]1(C)CCCCC1 [H][C@@]12CC[C@]3([H])[C@]([H])(CC[C@]4(C)[C@@H](OC(C)=O)[C@H](C[C@@]34[H])[N+]3(C)CCCCC3)[C@@]1(C)C[C@@H]([C@H](C2)OC(C)=O)N1CCCCC1 |
|
| Synonym |
C34H57N2O4 (2beta,3alpha,5alpha,16beta,17beta)-3,17-diacetoxy-16-(1-methylpiperidinium-1-yl)-2-(piperidin-1-yl)androstane 1-[(1S,2S,4S,5S,7S,10R,11S,13S,14R,15S)-5,14-bis(acetyloxy)-2,15-dimethyl-4-(piperidin-1-yl)tetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecan-13-yl]-1-methylpiperidin-1-ium |
|
| xref |
CiteXplore:17667569 Guide To Pharmacology:4002 Drugs.com:http://www.drugs.com/cdi/vecuronium.html Wikipedia:Vecuronium_Bromide KEGG COMPOUND:C07553 Wikipedia:http://en.wikipedia.org/wiki/Vecuronium PubChem Compound:39765 PharmGKB:PA164748865 IUPHAR:4002 Drugs Product Database (DPD):687405 ChEBI:9939 PubChem Substance:46507656 ChEMBL:775170 DrugBank:DB01339 ChemSpider:36357 Beilstein:7173466 CASRN:86029-43-8 |
|
| subClassOf |