RAPACURONIUM BROMIDE

Search structure
Trade Names:
Synonyms:
Status: Approved (1999) Withdrawn (2001)
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 65Q4QDG4KC

Structure
InChI Key LVQTUXZKLGXYIU-GWSNJHLMSA-M
Smile C=CC[N+]1([C@H]2C[C@H]3[C@@H]4CC[C@H]5C[C@H](OC(C)=O)[C@@H](N6CCCCC6)C[C@]5(C)[C@H]4CC[C@]3(C)[C@H]2OC(=O)CC)CCCCC1.[Br-]
InChI
InChI=1S/C37H61N2O4.BrH/c1-6-20-39(21-12-9-13-22-39)32-24-30-28-15-14-27-23-33(42-26(3)40)31(38-18-10-8-11-19-38)25-37(27,5)29(28)16-17-36(30,4)35(32)43-34(41)7-2;/h6,27-33,35H,1,7-25H2,2-5H3;1H/q+1;/p-1/t27-,28+,29-,30-,31-,32-,33-,35-,36-,37-;/m0./s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C37H61BrN2O4
Molecular Weight 677.81
AlogP 6.91
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 7.0
Polar Surface Area 55.84
Molecular species BASE
Aromatic Rings 0.0
Heavy Atoms 43.0

Pharmacology

Action Mechanism of Action Reference
ANTAGONIST Muscle-type nicotinic acetylcholine receptor antagonist FDA KEGG

Related Entries

MCS

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL1200549
EPA CompTox DTXSID7048823
FDA SRS 65Q4QDG4KC
PubChem 5311398
SureChEMBL SCHEMBL41132
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