| Phytochemical Name : Physostigmine salicylate |
| PCNDIDP0104 |
| Pubchem CID : 657348 |
| Molecular formula: C22H27N3O5 |
| Canonical SMILES : CC12CCN(C1N(C3=C2C=C(C=C3)OC(=O)NC)C)C.C1=CC=C(C(=C1)C(=O)O)O |
Synonymes : Physostigmine salicylate|57-64-7|Eserine salicylate|Isopto Eserine|Physostigmine (salicylate)|Physostigmine monosalicylate|Physostol salicylate|NSC-757275|57-64-7 (salicylate)|UNII-2046ZRO9VU|MLS000028388|2046ZRO9VU|CCRIS 3405|Physostigmine salicylate [JAN]|CHEBI:48883|Physostigmine, salicylate (1:1)|AR-44|EINECS 200-343-8|Physostigmine salicylate [USP:JAN]|TL-1380|SMR000058606|(3aS,8aR)-1,3a,8-trimethyl-1,2,3,3a,8,8a-hexahydropyrrolo[2,3-b]indol-5-yl methylcarbamate 2-hydroxybenzoate|Pyrrolo(2,3-b)indol-5-ol, 1,2,3,3a,8,8a-hexahydro-1,3a,8-trimethyl-, methylcarbamate (ester), (3aS-cis)-, mono(2-hydroxybenzoate)|[(3aR,8bS)-3,4,8b-trimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-7-yl] N-methylcarbamate;2-hydroxybenzoic acid|SR-01000075341|PHYSOSTIGMINESALICYLATE|Antilirium (TN)|C15H21N3O2.C7H6O3|Eserine monosalicylate|Physostigmini salicylas|Spectrum_000223|Opera_ID_194|SCHEMBL41555|KBioSS_000703|DivK1c_000339|SPECTRUM1500486|Physostigmine salicylate(1:1)|CHEMBL338975|HMS501A21|KBio1_000339|KBio2_000703|KBio2_003271|KBio2_005839|DTXSID80883232|NINDS_000339|HMS1920H12|HMS2091P16|HMS2235G19|Pharmakon1600-01500486|BCP25378|HY-B1266|Physostigmine salicylate (JAN/USP)|CCG-39918|NSC757275|PHYSOSTIGMINE SALICYLATE [MI]|AKOS037515711|NSC 757275|SDCCGMLS-0002925.P003|IDI1_000339|PHYSOSTIGMINE SALICYLATE [MART.]|PHYSOSTIGMINE SALICYLATE [VANDF]|NCGC00024464-02|PHYSOSTIGMINE SALICYLATE [USP-RS]|PHYSOSTIGMINE SALICYLATE [WHO-DD]|PHYSOSTIGMINE SALICYLATE [WHO-IP]|Eserine salicylate salt, >=97.0% (N)|MS-27151|C15-H21-N3-O2.C7-H6-O3|CS-0013051|PHYSOSTIGMINI SALICYLAS [WHO-IP LATIN]|D02418|PHYSOSTIGMINE SALICYLATE [EP MONOGRAPH]|PHYSOSTIGMINE SALICYLATE [USP MONOGRAPH]|A903540|SR-01000075341-3|SR-01000075341-5|SR-01000075341-7|Q27121383|Physostigmine salicylate, European Pharmacopoeia (EP) Reference Standard|Physostigmine salicylate, United States Pharmacopeia (USP) Reference Standard|(3aS,8aR)-1,3a,8-trimethyl-5-(methylcarbamoyloxy)-1,2,3,3a,8,8a-hexahydropyrrolo[2,3-b]indolium salicylate|[(3Ar,8bS)-3,4,8b-trimethyl-2,3,3a,4-tetrahydro-1H-pyrrolo[2,3-b]indole-3,4-diium-7-yl] N-methylcarbamate;2-oxidobenzoate|Benzoic acid, 2-hydroxy-, compd with (3aS-cis)-1,2,3,3a,8,8a-hexahydro-1,3a,8-trimethylpyrrolo[2,3-b]indol-5-yl methylcarbamate ester (1:1)|Benzoic acid, 2-hydroxy-, compound with (3aS-cis)-1,2,3,3a,8,8a-hexahydro-1,3a,8-trimethylpyrrolo[2,3-b]indol-5-yl methylcarbamate (1:1) |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 3.950 |
| Log Po/w (XLOGP3) : 0.940 |
| Log Po/w (WLOGP) : 2.100 |
| Log Po/w (MLOGP) : 2.300 |
| Log Po/w (SILICOS-IT) : 0.930 |
| Consensus Log Po/w : 2.040 |