(-)-Physostigmine
Properties
- Molecular formula
- C15H21N3O2
- Molar mass
- 275.35 g/mol
- Exact mass
- 275.1634 Da
- Melting point
- 105.5 °C
- pKa
- 8.17
- logP
- 1.98Crippen estimate
- Polar surface area
- 48.3 Ų
- H-bond donors / acceptors
- 1 / 4
- Rotatable bonds
- 1
- Stereocentres
- S, Rin SMILES atom order
Hazards
Danger
- H300 Fatal if swallowedAcute toxicity, oral
- H330 Fatal if inhaledAcute toxicity, inhalation
Harmonised EU classification (CLP Annex VI, index 614-020-00-8), via PubChem.
Precautionary statements
P260, P264, P270, P271, P284, P301+P316, P304+P340, P316, P320, P321, P330, P403+P233, P405, P501
Identifiers
CAS number
57-47-6SMILES
CN=C(O)Oc1ccc2c(c1)[C@]1(C)CCN(C)[C@@H]1N2CInChIKey
PIJVFDBKTWXHHD-HIFRSBDPSA-NInChI
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/s1Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
12 names
- Pyrrolo[2,3-b]indol-5-ol, 1,2,3,3a,8,8a-hexahydro-1,3a,8-trimethyl-, 5-(N-methylcarbamate), (3aS,8aR)-
- Physostigmine
- Pyrrolo[2,3-b]indol-5-ol, 1,2,3,3a,8,8a-hexahydro-1,3a,8-trimethyl-, methylcarbamate (ester), (3aS-cis)-
- Pyrrolo[2,3-b]indol-5-ol, 1,2,3,3a,8,8a-hexahydro-1,3a,8-trimethyl-, methylcarbamate (ester), (3aS,8aR)-
- Eserine
- (-)-Eserine
- Esromiotin
- Physostol
- NIH 10421
- MCV 4484
- Cogmine
- NSC 30782
Work with (-)-Physostigmine
Stereoisomers, salts and isotopologues
The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.
Similar compounds
Xylylcarb2425-10-739 % similar
Metolcarb1129-41-536 % similar
Methiocarb2032-65-733 % similar
Bendiocarb22781-23-332 % similar
Promecarb2631-37-032 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.