vecuronium   Click here for help

GtoPdb Ligand ID: 4002

Synonyms: Norcuron® | ORG NC 45 / ORG-NC 45
Approved drug
vecuronium is an approved drug (FDA (1999))
Compound class: Synthetic organic
Comment: Approved as vecuronium bromide (PubChem CID 39764).
The neuromuscular blockade induced by vecuronium can be reversed by administering the selective relaxant binding agent (SRBA) sugammadex (PubChem CID 6918584, a.k.a. Bridion®, Org 25969).
2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 5
Hydrogen bond donors 0
Rotatable bonds 6
Topological polar surface area 55.84
Molecular weight 557.43
XLogP 6.78
No. Lipinski's rules broken 1
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Isomeric SMILES CC(=O)O[C@H]1C[C@@H]2CC[C@@H]3[C@@H]([C@]2(C[C@@H]1N1CCCCC1)C)CC[C@]1([C@H]3C[C@@H]([C@@H]1OC(=O)C)[N+]1(C)CCCCC1)C
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
Classification Click here for help
Compound class Synthetic organic
Approved drug? Yes (FDA (1999))
WHO Essential Medicine WHO Essential Medicines List (EML) (23rd List, 2023). Access PDF version.
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IUPAC Name Click here for help
International Nonproprietary Names Click here for help
INN number INN
5100 vecuronium bromide
Synonyms Click here for help
Norcuron® | ORG NC 45 / ORG-NC 45
Database Links Click here for help
CAS Registry No. 86029-43-8 (source: Scifinder)
ChEMBL Ligand CHEMBL1201219
DrugBank Ligand DB01339
DrugCentral Ligand 2811
GtoPdb PubChem SID 178100828
PubChem CID 39765
Search Google for chemical match using the InChIKey BGSZAXLLHYERSY-XQIGCQGXSA-N
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UniChem Compound Search for chemical match using the InChIKey BGSZAXLLHYERSY-XQIGCQGXSA-N
UniChem Connectivity Search for chemical match using the InChIKey BGSZAXLLHYERSY-XQIGCQGXSA-N
Wikipedia Vecuronium