loading...| Preferred Name |
pancuronium |
|
| Synonyms |
Pancuronium 3alpha,17beta-diacetoxy-2beta,16beta-bis(1-methylpiperidinium-1-yl)-5alpha-androstane |
|
| Definitions |
A steroid ester in which a 5alpha-androstane skeleton is C-3alpha- and C-17beta-disubstituted with acetoxy groups and 2beta- and 16beta-disubstituted with 1-methylpiperidinium-1-yl groups. It is a non-depolarizing curare-mimetic muscle relaxant. |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_7907 |
|
| charge |
+2 |
|
| database_cross_reference |
PMID:29368335 KEGG:C07551 PMID:24827571 PMID:24985148 DrugBank:DB01337 PMID:6196640 Drug_Central:2052 Reaxys:1696212 PMID:22486886 HMDB:HMDB0015430 Wikipedia:Pancuronium |
|
| definition |
A steroid ester in which a 5alpha-androstane skeleton is C-3alpha- and C-17beta-disubstituted with acetoxy groups and 2beta- and 16beta-disubstituted with 1-methylpiperidinium-1-yl groups. It is a non-depolarizing curare-mimetic muscle relaxant. |
|
| formula |
C35H60N2O4 |
|
| has_alternative_id |
CHEBI:406486 |
|
| has_exact_synonym |
Pancuronium 3alpha,17beta-diacetoxy-2beta,16beta-bis(1-methylpiperidinium-1-yl)-5alpha-androstane |
|
| has_obo_namespace |
chebi_ontology |
|
| id |
CHEBI:7907 |
|
| in_subset | ||
| inchi |
InChI=1S/C35H60N2O4/c1-24(38)40-32-21-26-13-14-27-28(35(26,4)23-31(32)37(6)19-11-8-12-20-37)15-16-34(3)29(27)22-30(33(34)41-25(2)39)36(5)17-9-7-10-18-36/h26-33H,7-23H2,1-6H3/q+2/t26-,27+,28-,29-,30-,31-,32-,33-,34-,35-/m0/s1 |
|
| inchikey |
GVEAYVLWDAFXET-XGHATYIMSA-N |
|
| label |
pancuronium |
|
| mass |
572.86190 |
|
| monoisotopicmass |
572.45421 |
|
| notation |
CHEBI:7907 |
|
| prefLabel |
pancuronium |
|
| RO_0000087 | ||
| 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)[N+]1(C)CCCCC1 |
|
| subClassOf |