PANCURONIUM BROMIDE

Search structure
Trade Names:
Synonyms:
Status: Approved (1972)
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: U9LY9Y75X2

Structure
InChI Key NPIJXCQZLFKBMV-YTGGZNJNSA-L
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.[Br-].[Br-]
InChI
InChI=1S/C35H60N2O4.2BrH/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;2*1H/q+2;;/p-2/t26-,27+,28-,29-,30-,31-,32-,33-,34-,35-;;/m0../s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C35H60Br2N2O4
Molecular Weight 732.68
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

Action Mechanism of Action Reference
ANTAGONIST Muscle-type nicotinic acetylcholine receptor antagonist ISBN PubMed PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Ion channel Voltage-gated ion channel Potassium channels Calcium-activated potassium channel
- 6800 - - -

Related Entries

MCS

Scaffolds

Adverse Reactions

SOC By Demographic Distribution
System Organ Classification (SOC)
Relative Frequency (%)
Cardiac disorders
25.0
Vascular disorders
25.0
Nervous system disorders
16.67
General disorders and administration site conditions
8.33
Injury, poisoning and procedural complications
8.33
Investigations
8.33
Musculoskeletal and connective tissue disorders
8.33

Cross References

Resources Reference
ChEBI 7908
ChEMBL CHEMBL1200757
EPA CompTox DTXSID9023415
FDA SRS U9LY9Y75X2
PubChem 27350
SureChEMBL SCHEMBL41185
CONTENTS