VECURONIUM

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Synonyms
Status
Molecule Category Free-form
ATC M03AC03
UNII 5438723848
EPA CompTox DTXSID1044146

Structure

InChI Key BGSZAXLLHYERSY-XQIGCQGXSA-N
Smiles CC(=O)O[C@H]1C[C@@H]2CC[C@@H]3[C@H](CC[C@@]4(C)[C@H]3C[C@H]([N+]3(C)CCCCC3)[C@@H]4OC(C)=O)[C@@]2(C)C[C@@H]1N1CCCCC1
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

Physicochemical Descriptors

Property Name Value
Molecular Formula C34H57N2O4+
Molecular Weight 557.84
AlogP 5.97
Hydrogen Bond Acceptor 5.0
Number of Rotational Bond 4.0
Polar Surface Area 55.84
Molecular species BASE
Aromatic Rings 0.0
Heavy Atoms 40.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Transferase
- - - - 34
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Neisseria meningitidis
- - - - 34

Related Entries

Cross References

Resources Reference
ChEBI 9939
ChEMBL CHEMBL1201219
DrugBank DB01339
DrugCentral 2811
FDA SRS 5438723848
Human Metabolome Database HMDB0015432
Guide to Pharmacology 4002
KEGG C07553
PharmGKB PA164748865
PubChem 39765
SureChEMBL SCHEMBL13575838
ZINC ZINC000004097404
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