(-)-Physostigmine salicylate

C22H27N3O5CAS 57-64-7413.47 g/mol

Open in Covalent MOL file
NHOONNOHOHO
Carboxylic acidPhenolTertiary amine

Properties

Molecular formula
C22H27N3O5
Molar mass
413.47 g/mol
Exact mass
413.1951 Da
Melting point
150.1 °C
logP
3.07Crippen estimate
Polar surface area
105.8 Ų
H-bond donors / acceptors
3 / 6
Rotatable bonds
2
Stereocentres
S, Rin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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Identifiers

CAS number
57-64-7
SMILES
CN=C(O)Oc1ccc2c(c1)[C@]1(C)CCN(C)[C@@H]1N2C.O=C(O)c1ccccc1O
InChIKey
HZOTZTANVBDFOF-PBCQUBLHSA-N
InChI
InChI=1S/C15H21N3O2.C7H6O3/c1-15-7-8-17(3)13(15)18(4)12-6-5-10(9-11(12)15)20-14(19)16-2;8-6-4-2-1-3-5(6)7(9)10/h5-6,9,13H,7-8H2,1-4H3,(H,16,19);1-4,8H,(H,9,10)/t13-,15+;/m1./s1

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Names and synonyms

10 names
  • Benzoic acid, 2-hydroxy-, compd. with (3aS,8aR)-1,2,3,3a,8,8a-hexahydro-1,3a,8-trimethylpyrrolo[2,3-b]indol-5-yl N-methylcarbamate (1:1)
  • Physostigmine salicylate
  • Physostigmine, monosalicylate
  • 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 (1:1)
  • Benzoic acid, 2-hydroxy-, compd. with (3aS,8aR)-1,2,3,3a,8,8a-hexahydro-1,3a,8-trimethylpyrrolo[2,3-b]indol-5-yl methylcarbamate (1:1)
  • Salicylic acid, compd. with physostigmine (1:1)
  • 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) (salt)
  • Pyrrolo[2,3-b]indol-5-ol, 1,2,3,3a,8,8a-hexahydro-1,3a,8-trimethyl-, methylcarbamate (ester), (3aS,8aR)-, mono(2-hydroxybenzoate) (salt)
  • Eserine salicylate
  • Isopto eserine

Work with (-)-Physostigmine salicylate

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

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.

Salicylic acid69-72-7Free acid (-)-Physostigmine57-47-6Free base Sodium salicylate54-21-7Salt Trolamine salicylate2174-16-5Salt Potassium salicylate578-36-9Salt Zinc salicylate16283-36-6Salt (T-4)-Bis[2-(hydroxy-κO)benzoato-κO]magnesium18917-89-0Salt Diethylamine salicylate4419-92-5Salt Ammonium salicylate528-94-9Salt Bismuth subsalicylate14882-18-9Salt Eserine sulfate64-47-1Salt Lithium salicylate552-38-5Salt

Similar compounds

Salicylsalicylic acid552-94-333 % similar 4-Methoxysalicylic acid2237-36-732 % similar 5-Methoxysalicylic acid2612-02-432 % similar Dioxybenzone131-53-331 % similar Xylylcarb2425-10-731 % similar Metolcarb1129-41-530 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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