ROCURONIUM BROMIDE

Search structure
Trade Names:
Synonyms:
Status: Approved (1994)
Entry Type: Small molecule
Molecule Category: Salt
ATC: M03AC09
UNII: I65MW4OFHZ
Parent Compound: ROCURONIUM

Structure
InChI Key OYTJKRAYGYRUJK-FMCCZJBLSA-M
Smile 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

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

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Back Pain 3 D001416 ClinicalTrials
Heart Arrest 2 D006323 ClinicalTrials

Related Entries

Scaffolds

Parent

Adverse Reactions

SOC By Demographic Distribution
System Organ Classification (SOC)
Relative Frequency (%)
Vascular disorders
15.82
Immune system disorders
13.97
Cardiac disorders
10.77
Respiratory, thoracic and mediastinal disorders
10.63
General disorders and administration site conditions
8.26
Injury, poisoning and procedural complications
8.11
Nervous system disorders
7.06
Skin and subcutaneous tissue disorders
6.17
Investigations
4.53

Cross References

Resources Reference
ChEBI 8885
ChEMBL CHEMBL1200648
EPA CompTox DTXSID7023566
FDA SRS I65MW4OFHZ
PubChem 441351
SureChEMBL SCHEMBL41320
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