chempirical

Eserine sulfate

C15H23N3O6SCAS 64-47-1373.42 g/mol

Open in Covalent MOL file
NHOONNOSOHOOH
Tertiary amine

Properties

Molecular formula
C15H23N3O6S
Molar mass
373.42 g/mol
Exact mass
373.1308 Da
Melting point
105–106 °C
logP
1.33Crippen estimate
Polar surface area
122.9 Ų
H-bond donors / acceptors
3 / 6
Rotatable bonds
1
Stereocentres
S, Rin SMILES atom order

Identifiers

CAS number
64-47-1
SMILES
CN=C(O)Oc1ccc2c(c1)[C@]1(C)CCN(C)[C@@H]1N2C.O=S(=O)(O)O
InChIKey
LLIODTIILSCNOH-PBCQUBLHSA-N
InChI
InChI=1S/C15H21N3O2.H2O4S/c1-15-7-8-17(3)13(15)18(4)12-6-5-10(9-11(12)15)20-14(19)16-2;1-5(2,3)4/h5-6,9,13H,7-8H2,1-4H3,(H,16,19);(H2,1,2,3,4)/t13-,15+;/m1./s1

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

8 names
  • Pyrrolo[2,3-B]indol-5-ol, 1,2,3,3A,8,8A-hexahydro-1,3A,8-trimethyl-, 5-(N-methylcarbamate), (3as,8ar)-, sulfate (2:1)
  • Physostigmine, sulfate (2:1)
  • Pyrrolo[2,3-b]indol-5-ol, 1,2,3,3a,8,8a-hexahydro-1,3a,8-trimethyl-, methylcarbamate (ester), (3aS-cis)-, sulfate (2:1) (salt)
  • Pyrrolo[2,3-b]indol-5-ol, 1,2,3,3a,8,8a-hexahydro-1,3a,8-trimethyl-, methylcarbamate (ester), (3aS,8aR)-, sulfate (2:1) (salt)
  • Eserine sulphate
  • Physostigmine sulfate
  • Physostigmine sulphate
  • Physostigmine hemisulfate

Work with Eserine sulfate

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

Similar compounds

(-)-Physostigmine57-47-686 % similar (-)-Physostigmine salicylate57-64-769 % similar Xylylcarb2425-10-734 % similar Metolcarb1129-41-532 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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