DISTIGMINE BROMIDE

Search structure
Synonyms:
Status: Approved
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 750F36OP6J

Structure
InChI Key GJHSNEVFXQVOHR-UHFFFAOYSA-L
Smile CN(CCCCCCN(C)C(=O)Oc1ccc[n+](C)c1)C(=O)Oc1ccc[n+](C)c1.[Br-].[Br-]
InChI
InChI=1S/C22H32N4O4.2BrH/c1-23-13-9-11-19(17-23)29-21(27)25(3)15-7-5-6-8-16-26(4)22(28)30-20-12-10-14-24(2)18-20;;/h9-14,17-18H,5-8,15-16H2,1-4H3;2*1H/q+2;;/p-2

Physicochemical Descriptors

Property Name Value
Molecular Formula C22H32Br2N4O4
Molecular Weight 576.33
AlogP 2.46
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 9.0
Polar Surface Area 66.84
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 30.0

Related Entries

Scaffolds

Cross References

Resources Reference
ChEBI 31512
ChEMBL CHEMBL1098285
FDA SRS 750F36OP6J
PubChem 27522
SureChEMBL SCHEMBL148842
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