loading...| Preferred Name |
vecuronium |
|
| Synonyms |
(2beta,3alpha,5alpha,16beta,17beta)-3,17-diacetoxy-16-(1-methylpiperidinium-1-yl)-2-(piperidin-1-yl)androstane |
|
| Definitions |
A 5alpha-androstane compound having 3alpha-acetoxy-, 17beta-acetoxy-, 2beta-piperidino- and 16beta-N-methylpiperidinium substituents. |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_9939 |
|
| charge |
+1 |
|
| database_cross_reference |
PMID:17667569 PMID:24067332 PMID:29368335 Drug_Central:2811 Reaxys:7173466 PMID:7574008 KEGG:C07553 DrugBank:DB01339 PMID:8179178 PMID:10594422 CAS:86029-43-8 Beilstein:7173466 PMID:23903895 PMID:23769073 PMID:23200725 PMID:23641322 |
|
| definition |
A 5alpha-androstane compound having 3alpha-acetoxy-, 17beta-acetoxy-, 2beta-piperidino- and 16beta-N-methylpiperidinium substituents. |
|
| formula |
C34H57N2O4 |
|
| has_exact_synonym |
(2beta,3alpha,5alpha,16beta,17beta)-3,17-diacetoxy-16-(1-methylpiperidinium-1-yl)-2-(piperidin-1-yl)androstane |
|
| has_obo_namespace |
chebi_ontology |
|
| has_parent_hydride | ||
| id |
CHEBI:9939 |
|
| in_subset | ||
| 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 |
BGSZAXLLHYERSY-XQIGCQGXSA-N |
|
| label |
vecuronium |
|
| mass |
557.82740 |
|
| monoisotopicmass |
557.43128 |
|
| notation |
CHEBI:9939 |
|
| prefLabel |
vecuronium |
|
| RO_0000087 |
http://purl.obolibrary.org/obo/CHEBI_51371 |
|
| smiles |
[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 |
|
| subClassOf |
http://purl.obolibrary.org/obo/CHEBI_47622 |