Basic information
- CAS
6091-11-8- Standard SMILES
CNC(=O)Oc1ccc2c(c1)[C@]1(C)CCN(C)[C@@H]1[N+]2(C)C.[I-]- InChIKey
SLSBBKOEHGUBBZ-XMZRARIVSA-N- Molecular formula
- C16H24IN3O2
- Average molar mass
- 417.28 g/mol
- Monoisotopic mass
- 417.09132
Overview
structure given in first source
Names & identifiers
- Preferred name
- Physostigmine methiodide
- IUPAC
- [(3aR,8bS)-3,4,4,8b-tetramethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-4-ium-7-yl] N-methylcarbamate iodide
Names & synonyms
Physostigmine methiodide6091-11-8Pyrrolo(2,3-b)indolium, 1,2,3,3a,8,8a-hexahydro-1,1,3a,8(or 1,3a,8,8)-tetramethyl-5-(((methylamino)carbonyl)oxy)-, iodide, (3aS-cis)-RefChem:174091[(3aR,8bS)-3,4,4,8b-tetramethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-4-ium-7-yl] N-methylcarbamate;iodidePhysostigmine, methiodideAR-45SCHEMBL29410815
Database identifiers
- CAS
6091-11-8- PubChem CID
- 111148
Properties
Computed structural properties
- Topological polar surface area
- 41.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 439
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…