PIPECURONIUM BROMIDE

Search structure
Trade Names:
Synonyms:
Status: Approved (1990)
Entry Type: Small molecule
Molecule Category: UNKNOWN
ATC: M03AC06
UNII: R6ZTY81RE1

Structure
InChI Key TXWBOBJCRVVBJF-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](N3CC[N+](C)(C)CC3)[C@@H]4OC(C)=O)[C@@]2(C)C[C@@H]1N1CC[N+](C)(C)CC1.[Br-].[Br-]
InChI
InChI=1S/C35H62N4O4.2BrH/c1-24(40)42-32-21-26-9-10-27-28(35(26,4)23-31(32)37-15-19-39(7,8)20-16-37)11-12-34(3)29(27)22-30(33(34)43-25(2)41)36-13-17-38(5,6)18-14-36;;/h26-33H,9-23H2,1-8H3;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 C35H62Br2N4O4
Molecular Weight 762.71
AlogP 3.63
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 4.0
Polar Surface Area 59.08
Molecular species NEUTRAL
Aromatic Rings 0.0
Heavy Atoms 43.0

Pharmacology

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

Related Entries

MCS

Scaffolds

Cross References

Resources Reference
ChEBI 8231
ChEMBL CHEMBL1200722
EPA CompTox DTXSID8023478
FDA SRS R6ZTY81RE1
PubChem 65332
SureChEMBL SCHEMBL42154
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