Chemical Properties of Physostigmine (CAS 57-47-6)

InChI

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)

InChI Key

PIJVFDBKTWXHHD-UHFFFAOYSA-N

Formula

C15H21N3O2

SMILES

CNC(=O)Oc1ccc2c(c1)C1(C)CCN(C)C1N2C

Molecular Weight¹

275.35

CAS

57-47-6

Other Names

• Pyrrolo[2,3-b]indol-5-ol, 1,2,3,3a,8,8a-hexahydro-1,3a,8-trimethyl-, methylcarbamate (ester), (3aS-cis)-
• Eserine
• Esromiotin
• Ezerin
• Physostol
• Pyrrolo[2,3-b]indol-5-ol, 1,2,3,3a,8,8a-hexahydro-1,3a,8-trimethyl-, methylcarbamate, (3aS-cis)-
• Antilirium
• Carbamic acid, methyl-, ester with eseroline
• Erserine
• Eserolein, methylcarbamate (ester)
• CS 58525
• Eserolein, methylcarbamate
• Fysostigmin
• 1,2,3,3a«beta»,8a«beta»-Hexahydro-1,3a,8-trimethylpyrrolo[2,3-b]-indol-5-yl methylcarbamate
• 1,2,3,3a,8,8a-Hexahydro-1,3a,8-trimethylpyrrolo-[2,3-b]indol-5-yl methylcarbamate, (3aS-cis)-
• (3aS-cis)-1,2,3,3a,8,8a-Hexahydro-1,3a,8-trimethylpyrrolo[2,3-b]indol-5-olmethylcarbamate (ester)
• Cogmine
• (-)-Physostigmine
• MCV 4484
• NIH 10421
• NSC 30782
• Pyrrolo[2,3-b]indol-5-ol, 1,2,3,3a,8,8a-hexahydro-1,3a,8-trimethyl-, 5-(N-methylcarbamate), (3aS,8aR)-

• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Similar Compounds

Find more compounds similar to Physostigmine.

Sources

• Crippen Method
• Crippen Method
• McGowan Method
• NIST Webbook

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