WHC is still in active development. Read this to understand our approach.
depiction of PIJVFDBKTWXHHD-UHFFFAOYSA-N.svg
isomerdesign

Physostigmine

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pubchem

Physostigmine

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drugmap

Physostigmine

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Data

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)

Synonyms: Spectrum2_001283,Physostigmine (USP),CS-0034353,MFCD00151090,DSSTox_RID_77040,Eserine; Antilirium; Physostol; Esromiotin; Ezerin,Pyrrolo[2, 1,2,3,3a,8,8a-hexahydro-1,3a,8-trimethyl-, methylcarbamate (ester), (3aS-cis)-,Spectrum5_001672,KBio2_004846,CAS-57-47-6,Eserine,(3aS-cis)-1,2,3,3a,8,8a-Hexahydro-1,3a,8-trimethylpyrrolo(2,3-b)indol-5-ol methylcarbamate (ester),NCGC00093889-08,PHYSOSTIGMINE [USP IMPURITY],(-) physostigmine,BRD-K25650355-001-02-5,AC-15983,CHEMBL537674,Eserine (TN),Physostol,[(3aR,8bS)-3,4,8b-trimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-7-yl] N-methylcarbamate,Ezerin,NCGC00255345-01,Pyrrolo(2,3-b)indol-5-ol, 1,2,3,3a,8,8a-hexahydro-1,3a,8-trimethyl-, methylcarbamate (ester), (3aS-cis),57-47-6,Lopac0_000483,BCP19735,Fysostigmin,Pyrrolo(2,3-b)indol-5-ol, 1,2,3,3a,8,8a-hexahydro-1,3a,8-trimethyl-, methylcarbamate (ester), (3aS-cis)-,Spectrum2_000330,KBioSS_002279,NCGC00093889-05,BDBM11023,C06535,NCGC00093889-06,NSC30782,UNII-9U1VM840SP,cogmine,DivK1c_006477,DSSTox_CID_3471,physostigmin,Q410595,BDBM50222010,NSC-30782,PHYSOSTIGMINE [HSDB],Prestwick2_000566,physostigmine.salicylic acid,Eserolein, methylcarbamate,(3aS,8aR)-1,3a,8-trimethyl-1H,2H,3H,3aH,8H,8aH-pyrrolo[2,3-b]indol-5-yl N-methylcarbamate; 2-hydroxybenzoic acid,SPBio_001285,KBio2_003964,KBio3_001689,HSDB 3161,NCGC00093889-01,MEGxp0_001872,MCV 4484,PHYSOSTIGMINE [MI],NCGC00093889-13,(3aS,8aR)-1,3a,8-trimethyl-1,2,3,3a,8,8a-hexahydropyrrolo[2,3-b]indol-5-yl methylcarbamate,Fysostigmin [Czech],NCGC00093889-07,Carbamic acid, methyl-, ester with eseroline,(-)-physostigmine,1,2,3,3abeta,8abeta-Hexahydro-1,3a,8-trimethylpyrrolo(2,3-b)-indol-5-yl methylcarbamate,KBio1_001421,P0406,HMS2089M11,NCGC00093889-02,NCGC00093889-09,NCGC00093889-03,Physostigmine,BDBM50004000,CHEMBL94,NIH 10421,NCGC00093889-10,Spectrum5_000626,BSPBio_000352,AKOS016843649,NCGC00261168-01,Antilirium, Physostigmine (local acting gel, xerostomia),Physostigmine 100 microg/mL in Acetonitrile,Spectrum2_000757,KBioGR_002533,Pyrrolo(2,3-b)indol-5-ol, 1,2,3,3a,8,8a-hexahydro-1,3a,8-trimethyl-, 5-(N-methylcarbamate), (3aS,8aR)-,Spectrum5_000441,Prestwick0_000566,E 8375,KBio2_007414,Spectrum4_001913, Physostigmine (local acting gel, xerostomia), Calabar,ACon1_000097,SBI-0050467.P004,Prestwick3_000566,Calabarine,KBioGR_001433,Spectrum_000916,SpecPlus_000381,9U1VM840SP,KBio2_006532,DSSTox_GSID_23471,ZINC91689892,Pyrrolo(2,3-b)indol-5-ol, 1,2,3,3a,8,8a-hexahydro-1,3a,8-trimethyl-, methylcarbamate (ester), (3aS,8aR)-,CS 58525,Spectrum3_000545,Xalieve,PHYSOSTIGMINE [MART.],GTPL6598, Physostigmine (buccal, xerostomia), Calabar,Carbamic acid, ester with eseroline,SCHEMBL24044,SMR000718753,Physostigmine [USP:BAN],CCRIS 3422,KBio2_002278,NCGC00093889-12,SPBio_002571,HMS1921G06,1,2,3,3A.BETA.,8A.BETA.-HEXAHYDRO-1,3A,8-TRIMETHYLPYRROLO(2,3-B)-INDOL-5-YL METHYLCARBAMATE,CHEBI:27953,BSPBio_002189,KBio3_001842,Spectrum_001789,KBioGR_002061,SDCCGSBI-0050467.P005,HMS2236L08,Eserolein, methylcarbamate (ester),EN300-23839407,CCG-38605,MCV-4484,KBioSS_001396,Spectrum4_000997,EINECS 200-332-8,WLN: T B556 EN GNTT&J B1 E1 G1 KOVM1,NSC 30782,(3aS,8aR)-1,3a,8-trimethyl-1H,2H,3H,3aH,8H,8aH-pyrrolo[2,3-b]indol-5-yl N-methylcarbamate,Tox21_301591,RCRA waste no. P204,SPBio_000339,Tox21_111228,physostigmine,Prestwick1_000566,PHYSOSTIGMINE [VANDF],SDCCGMLS-0066585.P001,BRD-K25650355-059-12-2,Spectrum3_000901,MLS001304022,KBio2_001396,DTXSID3023471,(3aS,8aR)-1,3a,8-trimethyl-1,2,3,3a,8,8a-hexahydropyrrolo[2,3-b]indol-5-yl methylcarbamate hydrochloride,BPBio1_000388,SPBio_000774,PHYSOSTIGMINE [WHO-DD],Tox21_500483,NCGC00093889-04,Eserine sulfate,BRD-K25650355-059-02-3,Erserine,HMS3261B07,SR-01000075341-1, Acetylcholinesterase inhibitor (dry mouth), Calabar,SPECTRUM1500753,eserin,ESERINUM [HPUS],LP00483,Spectrum4_001631,NCGC00093889-20,D00196,Tox21_111228_1,Eserine, >=98.0% (N),Esromiotin,Eserinum,HY-N6608,cid_657348,EU-0100483,Methyl-carbamic acid, ester with eseroline,DB00981

Estimated data

Solubility: -1.985 (log(S) in mol/L prediction using SolTranNet)

Blood Brain Barrier Permeability: Yes (prediction using frontiersin.org)

Addictivity Prediction: 43.2% (prediction based on www.mdpi.com)

Similarities

The following is a set of comparisons to understand the properties of this compound. This is still higly experimental and is still under active development. Please refer to our series of blog posts to fully understand our approach and its limitations. This information is for informational purposes only and should not be construed as medical advice.