NEOSTIGMINE BROMIDE

Search structure
Synonyms:
Status: Approved
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 005SYP50G5

Structure
InChI Key LULNWZDBKTWDGK-UHFFFAOYSA-M
Smile CN(C)C(=O)Oc1cccc([N+](C)(C)C)c1.[Br-]
InChI
InChI=1S/C12H19N2O2.BrH/c1-13(2)12(15)16-11-8-6-7-10(9-11)14(3,4)5;/h6-9H,1-5H3;1H/q+1;/p-1

Physicochemical Descriptors

Property Name Value
Molecular Formula C12H19BrN2O2
Molecular Weight 303.2
AlogP 1.94
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 2.0
Polar Surface Area 29.54
Molecular species None
Aromatic Rings 1.0
Heavy Atoms 16.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Hydrolase
- 0-600 - 1000
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - - 101
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC22 family of organic cation and anion transporters
- - - - 19

Cross References

Resources Reference
ChEBI 179557
ChEMBL CHEMBL54126
EPA CompTox DTXSID9041075
FDA SRS 005SYP50G5
KEGG C08197
PubChem 8246
SureChEMBL SCHEMBL41128
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