Physostigmine

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Systematic / IUPAC Name: [(3aR,8bS)-3,4,8b-Trimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-7-yl] N-methylcarbamate

ID: Reference2389

Other Names: Eserine;
Physostol;
Esromiotin;
Ezerin;
Calabarine ; more

Formula: C15H21N3O2

Class: Therapeutics/Prescription Drugs Endogenous Metabolites Natural Products/Medicines Natural Toxins Sports Doping Drugs

Spectral Data

Physostigmine mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Orbitrap Fusion Lumos with ETD LBP FAIMS ; Q Exactive Plus Orbitrap
No. of Spectral Trees 2
No. of Spectra 207
Tandem Spectra MS1, MS2
Ionization Methods ESI; NSI
Analyzers FT
Last Modification 3/6/2015 1:27:33 PM
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Identificators

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
InChI Key PIJVFDBKTWXHHD-HIFRSBDPSA-N
Canonical SMILES CC12CCN(C1N(C3=C2C=C(C=C3)OC(=O)NC)C)C
CAS 57476
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Other Names Eserine;
Physostol;
Esromiotin;
Ezerin;
Calabarine;
Erserine;
(-)-Physostigmine;
(3aS,8aR)-1,3a,8-Trimethyl-1,2,3,3a,8,8a-hexahydropyrrolo[2,3-b]indol-5-yl methylcarbamate;
Eserolein, methylcarbamate;
Pyrrolo(2,3-b)indol-5-ol, 1,2,3,3a,8,8a-hexahydro-1,3a,8-trimethyl, methylcarbamate (ester), (3aS,8aR)-;
(3aS,8aR)-1,3a,8-Trimethyl-1H,2H,3H,3aH,8H,8aH-pyrrolo[2,3-b]indol-5-yl N-methylcarbamate

In Other Databases

HMDb HMDB15116
ChemIDPlus 000057476
Wikipedia Physostigmine
ChemSpider 5763
KEGG C06535; D00196
ChEBI CHEBI:27953
PubChem 5983
DrugBank DB00981