Basic information
- CAS
6091-12-9- Standard SMILES
CNC(=O)Oc1ccc2c(c1)[C@]1(C)CCN(C)[C@@H]1N2C.Cl- InChIKey
REPUEGIPTSPLQL-PBCQUBLHSA-N- Molecular formula
- C15H22ClN3O2
- Average molar mass
- 311.81 g/mol
- Monoisotopic mass
- 311.1400546
Overview
See also: Physostigmine (annotation moved to); Physostigmine Sulfate (annotation moved to).
Names & identifiers
- Preferred name
- Physostigmine hydrochloride
- IUPAC
- [(3aR,8bS)-3,4,8b-trimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-7-yl] N-methylcarbamate;hydrochloride
- English name
- Eserine hydrochloride
- Molecular formula
- C15H22ClN3O2
- Molecular weight
- 311.81
Names & synonyms
Physostigmine hydrochloridePhysostigmine HCl6091-12-9EINECS 228-031-7RefChem:174090228-031-7CHEMBL537674SCHEMBL7581684DTXSID20976379REPUEGIPTSPLQL-PBCQUBLHSA-NPhysostigmine Hydrochloride - API StandardsNS00081277
Show more names
Eserine hydrochloride
(3aS,8aR)-1,3a,8-Trimethyl-1,2,3,3a,8,8a-hexahydropyrrolo[2,3-b]indol-5-yl hydrogen methylcarbonimidate--hydrogen chloride (1/1)1,3a,8-Trimethyl-1,2,3,3a,8,8a-hexahydropyrrolo[2,3-b]indol-5-yl hydrogen methylcarbonimidate--hydrogen chloride (1/1)
Database identifiers
- CAS
6091-12-9- PubChem CID
- 111150
- DTXSID
DTXSID20976379- ChEMBL
CHEMBL537674- EC Number
- 228-031-7
Properties
Computed structural properties
- Topological polar surface area
- 44.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 403
Chemistry & industry
Suppliers2 total
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
BOC Sciences+1-631-485-4226 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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