ROCURONIUM BROMIDE

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Trade Names
Synonyms
Status
Molecule Category Salt-form
ATC M03AC09
UNII I65MW4OFHZ
EPA CompTox DTXSID7023566
Parent Compound: ROCURONIUM

Structure

InChI Key OYTJKRAYGYRUJK-FMCCZJBLSA-M
Smiles C=CC[N+]1([C@H]2C[C@H]3[C@@H]4CC[C@H]5C[C@H](O)[C@@H](N6CCOCC6)C[C@]5(C)[C@H]4CC[C@]3(C)[C@H]2OC(C)=O)CCCC1.[Br-]
InChI
InChI=1S/C32H53N2O4.BrH/c1-5-14-34(15-6-7-16-34)28-20-26-24-9-8-23-19-29(36)27(33-12-17-37-18-13-33)21-32(23,4)25(24)10-11-31(26,3)30(28)38-22(2)35;/h5,23-30,36H,1,6-21H2,2-4H3;1H/q+1;/p-1/t23-,24+,25-,26-,27-,28-,29-,30-,31-,32-;/m0./s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C32H53BrN2O4
Molecular Weight 609.69
AlogP 4.41
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 5.0
Polar Surface Area 59.0
Molecular species NEUTRAL
Aromatic Rings 0.0
Heavy Atoms 38.0

Pharmacology

Mechanism of Action Action Reference
Muscle-type nicotinic acetylcholine receptor antagonist ANTAGONIST PubMed PubMed DailyMed

Cross References

Resources Reference
ChEBI 8885
ChEMBL CHEMBL1200648
FDA SRS I65MW4OFHZ
PubChem 441351
SureChEMBL SCHEMBL41320
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