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Physostigmine

CAT: 1407-AB3313Size: 20 mgDry Ice: NoHazardous: No
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CAT#:1407-AB3313Size:20 mg
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CAS Number
57-47-6
Purity
98% (HPLC)
Molecular Formula
C15H21N3O2
Molecular Weight
275.35

Chemical Information

Physostigmine

Physostigmine is a carbamate ester and an indole alkaloid. It has a role as an EC 3.1.1.8 (cholinesterase) inhibitor, a miotic and an antidote to curare poisoning.

CAS Number57-47-6
PubChem CID5983
IUPAC Name[(3aR,8bS)-3,4,8b-trimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-7-yl] N-methylcarbamate
Molecular FormulaC15H21N3O2
Molecular Weight275.35
XLogP0.7
Topological Polar Surface Area44.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Heavy Atom Count20
Formal Charge0
Complexity403
SMILES
C[C@@]12CCN([C@@H]1N(C3=C2C=C(C=C3)OC(=O)NC)C)C
InChI
InChI=1S/C15H21N3O2/c1-15-7-8-17(3)13(15)18(4)12-6-5-10(9-11(12)15)20-14(19)16-2/h5-6,9,13H,7-8H2,1-4H3,(H,16,19)/t13-,15+/m1/s1
InChIKey
PIJVFDBKTWXHHD-HIFRSBDPSA-N
Chemical Structure
2D Structure
2D structure of Physostigmine
CAS: 57-47-6
CID: 5983
Formula: C15H21N3O2
MW: 275.35
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight275.35
XLogP30.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass275.16337692
Monoisotopic Mass275.16337692
Topological Polar Surface Area44.8 Ų
Heavy Atom Count20
Formal Charge0
Complexity403
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
TRC-P398500-25MGPhysostigmine
HY-N6608S-01Physostigmine-d3
T23153Physostigmine hemisulfate
MBS3605102-01Physostigmine Salicylate
HY-B1266-01Physostigmine (salicylate)

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