CISATRACURIUM BESYLATE

Search structure
Trade Names:
Synonyms:
Status: Approved (1995)
Entry Type: Small molecule
Molecule Category: Salt
UNII: Y78PS7MEDE
Parent Compound: CISATRACURIUM

Structure
InChI Key XXZSQOVSEBAPGS-DONVQRBFSA-L
Smile COc1ccc(C[C@@H]2c3cc(OC)c(OC)cc3CC[N@+]2(C)CCC(=O)OCCCCCOC(=O)CC[N@@+]2(C)CCc3cc(OC)c(OC)cc3[C@H]2Cc2ccc(OC)c(OC)c2)cc1OC.O=S(=O)([O-])c1ccccc1.O=S(=O)([O-])c1ccccc1
InChI
InChI=1S/C53H72N2O12.2C6H6O3S/c1-54(22-18-38-32-48(62-7)50(64-9)34-40(38)42(54)28-36-14-16-44(58-3)46(30-36)60-5)24-20-52(56)66-26-12-11-13-27-67-53(57)21-25-55(2)23-19-39-33-49(63-8)51(65-10)35-41(39)43(55)29-37-15-17-45(59-4)47(31-37)61-6;2*7-10(8,9)6-4-2-1-3-5-6/h14-17,30-35,42-43H,11-13,18-29H2,1-10H3;2*1-5H,(H,7,8,9)/q+2;;/p-2/t42-,43-,54-,55-;;/m1../s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C65H82N2O18S2
Molecular Weight 1243.5
AlogP 8.07
Hydrogen Bond Acceptor 12.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 24.0
Polar Surface Area 126.44
Molecular species NEUTRAL
Aromatic Rings 4.0
Heavy Atoms 67.0

Pharmacology

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

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Respiratory Distress Syndrome 3 D012128 ClinicalTrials

Related Entries

Scaffolds

Parent

Adverse Reactions

SOC By Demographic Distribution
System Organ Classification (SOC)
Relative Frequency (%)
Respiratory, thoracic and mediastinal disorders
15.93
Vascular disorders
15.25
Cardiac disorders
12.82
Investigations
10.89
Immune system disorders
8.59
General disorders and administration site conditions
6.85
Metabolism and nutrition disorders
6.72
Injury, poisoning and procedural complications
3.86
Nervous system disorders
3.11
Skin and subcutaneous tissue disorders
2.86
Renal and urinary disorders
2.24

Cross References

Resources Reference
ChEBI 3721
ChEMBL CHEMBL1200641
EPA CompTox DTXSID10895045
FDA SRS Y78PS7MEDE
PharmGKB PA164744925
PubChem 62886
SureChEMBL SCHEMBL40669
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