PANCURONIUM

Search structure
Synonyms:
Status: Approved (1972)
Entry Type: Small molecule
Molecule Category: UNKNOWN
ATC: M03AC01
UNII: J76UF062FS

Structure
InChI Key GVEAYVLWDAFXET-XGHATYIMSA-N
Smile 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]1[N+]1(C)CCCCC1
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

Physicochemical Descriptors

Property Name Value
Molecular Formula C35H60N2O4+2
Molecular Weight 572.88
AlogP 6.11
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 4.0
Polar Surface Area 52.6
Molecular species NEUTRAL
Aromatic Rings 0.0
Heavy Atoms 41.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Transferase
- - - - 38
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC22 family of organic cation and anion transporters
- - - -

Related Entries

Scaffolds

Cross References

Resources Reference
ChEBI 7907
ChEMBL CHEMBL185073
DrugBank DB01337
DrugCentral 2052
EPA CompTox DTXSID7048405
FDA SRS J76UF062FS
Human Metabolome Database HMDB0015430
Guide to Pharmacology 4001
KEGG C07551
PharmGKB PA450771
PubChem 441289
SureChEMBL SCHEMBL13790650
ZINC ZINC000004097383
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