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Chemical structure of Neostigmine Bromide
Alkaloids

Neostigmine Bromide

PHY-NP-07977 · Natural product research catalog

Catalog numberPHY-NP-07977
CAS number114-80-7
Molecular formulaC12H19BrN2O2
Molecular weight303.2 g/mol
Chemical classAlkaloids
Purity / assayConfirmed in quotation and batch COA

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Product information

Neostigmine Bromide is listed in the Alkaloids section of the Phytide Bio research catalog. Standard pack sizes are 5, 10, 20, 50 and 100 mg.

For research use only. Not for human or veterinary use, diagnosis or treatment.

Names & identifiers

IUPAC name[3-(dimethylcarbamoyloxy)phenyl]-trimethylazanium bromide
SMILESCN(C)C(=O)OC1=CC=CC(=C1)[N+](C)(C)C.[Br-]
InChIKeyLULNWZDBKTWDGK-UHFFFAOYSA-M
PubChem CID8246

Computed properties & structure classification

Exact mass (Da)302.063Predicted LogP1.9437
Predicted TPSA (Ų)29.54H-bond donors0
H-bond acceptors2Rotatable bonds2
Ring count1Aromatic rings1
Fraction Csp³0.417Synthetic accessibility score2.63
QED score0.717Lipinski rule violations0
NPClassifier pathwayAlkaloidsParent SMILESCN(C)C(=O)Oc1cccc([N+](C)(C)C)c1
Parent formulaC12H19N2O2+Parent molecular weight223.296
Specified stereocenters0Unspecified stereocenters0

Structure-derived values from the supplied dataset; not measured batch specifications or experimentally verified activity.

Reported natural occurrence

LOTUS species records0
LOTUS reference records0
COCONUT organism records0

Occurrence records are inherited from the supplied dataset. They do not establish manufacturing origin, batch traceability or independent literature verification. Taxonomic names may include synonyms.

Structure resources

Documents & specifications

Certificate of analysis (COA)Batch-specific document pending; not available in this preview
Safety data sheet (SDS)Not yet published
Storage / solubilityProduct-specific conditions to be confirmed
ShippingConfirmed with the quotation

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