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

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)-

ω : Acentric Factor.
Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
IE : Ionization energy (eV).
log₁₀WS : Log10 of Water solubility in mol/l.
logP_oct/wat : Octanol/Water partition coefficient.
McVol : McGowan's characteristic volume (ml/mol).
P_c : Critical Pressure (kPa).
T_boil : Normal Boiling Point Temperature (K).
T_c : Critical Temperature (K).
T_fus : Normal melting (fusion) point (K).
V_c : Critical Volume (m³/kmol).
¹: Molecular weight from the IUPAC atomic weights tables.

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Physical Properties

Property	Value	Unit	Source
ω	0.7342		Relay (1.0) Calculated Property
Δ_fG°	110.31	kJ/mol	Relay (1.0-beta) Calculated Property
Δ_fH°_gas	-247.39	kJ/mol	Relay (1.0) Calculated Property
Δ_vapH°	102.55	kJ/mol	Relay (1.0) Calculated Property
IE	7.08	eV	Relay (1.0) Calculated Property
log₁₀WS	-2.49		Relay (1.0) Calculated Property
logP_oct/wat	1.774		Crippen Calculated Property
McVol	214.110	ml/mol	McGowan Calculated Property
P_c	2163.12	kPa	Relay (1.0-beta) Calculated Property
T_boil	605.90	K	Relay (1.0) Calculated Property
T_c	911.33	K	Relay (1.0) Calculated Property
T_fus	387.33	K	Relay (1.0) Calculated Property
V_c	0.772	m³/kmol	Relay (1.0) Calculated Property

Similar Compounds

Ajmaline.

Normorphine, N-trimethylsilyl-, bis(trimethylsilyl) ether.

Nalmefene.

Normorphine TMS.

Galantamin.

Strychnine.

3-O,6-O,N-Triacetylnormorphine.

Acetimide, N-(6,7,9,10-tetrahydro-1,2,3,10-tetramethoxy-9-oxo-5H-10,12a-epoxybenzo(a)heptalen-7-yl)-.

acetylepibaptifoline.

(1,S,2S,3R,5S)-(+)-Pinanediol, , 2-(N,N-dimethylaminomethyl)-ferroceneboronate.

3-propionyl-morphine.

Morphinan-3,6-diol, 7,8-didehydro-4,5-epoxy-17-methyl- (5«alpha»,6«alpha»)-, bis(trifluoroacetate) (ester).

Triazolo[4,5-d]pyrimidin-7-ol,3h-v-, 5-amino-3-(2',3'-o-isopropylidene-beta-d-ribofuranosyl)-, 5'-diphenyl phosphate (keto form).

Dihydroergokryptine.

Benzylmorphine.

Find more compounds similar to Physostigmine.

Sources

Cheméo Relay (1.0)
Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
Crippen Method
Crippen Method
McGowan Method
NIST Webbook

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