NEOSTIGMINE BROMIDE

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Synonyms
Status
Molecule Category Salt-form
UNII 005SYP50G5
EPA CompTox DTXSID9041075

Structure

InChI Key LULNWZDBKTWDGK-UHFFFAOYSA-M
Smiles 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
Number of Rotational Bond 2.0
Polar Surface Area 29.54
Heavy Atoms 16.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Hydrolase
- 0.043-800 - -
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - - 95.12-101.09
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC22 family of organic cation and anion transporters
- - - - 19.4
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Cavia porcellus
- 22-28 - - -
Cricetulus griseus
- - - - 95.12-101.09
Electrophorus electricus
- 47.5-53 - - -
Equus caballus
- 70 - - -
Gallus gallus
28 - - - -
Homo sapiens
- 0.043-800 - - -13.75-19.4
Mus musculus
900 - - - -
Rattus norvegicus
- 35-650 - - -
eel
- 87 - - -

Cross References

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