Back to Search
Proserine
CAS: 51-60-5 | C13H22N2O6S
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
51-60-5
Molecular Formula:
C13H22N2O6S
Molecular Mass:
334.39 g/mol
Names and Synonyms:
Proserine
Benzenaminium, 3-[[(dimethylamino)carbonyl]oxy]-N,N,N-trimethyl-, methyl sulfate (1:1)
Ammonium, (m-hydroxyphenyl)trimethyl-, methyl sulfate, dimethylcarbamate
Benzenaminium, 3-[[(dimethylamino)carbonyl]oxy]-N,N,N-trimethyl-, methyl sulfate
3-(Dimethylcarbamoxy)phenyl trimethylammonium methyl sulfate
Hodostin
(m-Hydroxyphenyl)trimethylammonium methyl sulfate dimethylcarbamate
(3-Hydroxyphenyl)trimethylammonium methyl sulfate dimethylcarbamic ester
Kirkstigmine methyl sulfate
Leostigmine methyl sulfate
Neoeserine methyl sulfate
Neostigmeth
Neostigmine methosulfate
Neostigmine methyl sulfate
Normastigmin
Philostigmin methyl sulfate
Polstigmine
Proserine methyl sulfate
Stigmanol methyl sulfate
Stigmosan methyl sulfate
Vagostigmine methyl sulfate
Neostigmine mono(methyl sulfate)
Prostigmine methyl sulfate
(3-Dimethylcarbamoyloxyphenyl)trimethylammonium methyl sulfate
Eustigmin methyl sulfate
Prostigmin methyl sulfate
Synstigmine
Syntostigmin
Syntostigmin (injection)
Vagostigmin
Proserine
GD 65
Stiglyn
Intrastigmina
Metastigmin
NSC 93753
3-[(Dimethylcarbamoyl)oxy]-N,N,N-trimethylanilinium methyl sulfate
Bloxiverz
Identifiers:
SMILES:
CN(C)C(=O)Oc1cccc([N+](C)(C)C)c1.COS(=O)(=O)[O-]
InChI:
InChI=1S/C12H19N2O2.CH4O4S/c1-13(2)12(15)16-11-8-6-7-10(9-11)14(3,4)5;1-5-6(2,3)4/h6-9H,1-5H3;1H3,(H,2,3,4)/q+1;/p-1
Key Properties
Melting Point
142-145 °C
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 334.39 g/mol | CAS Common Chemistry |
| 334.394 g/mol | RDKit | |
| 334.1198574239999 g/mol | RDKit | |
| Canonical SMILES | O=C(OC1=CC=CC(=C1)[N+](C)(C)C)N(C)C.O=S(=O)([O-])OC | CAS Common Chemistry |
| InChI | InChI=1S/C12H19N2O2.CH4O4S/c1-13(2)12(15)16-11-8-6-7-10(9-11)14(3,4)5;1-5-6(2,3)4/h6-9H,1-5H3;1H3,(H,2,3,4)/q+1;/p-1 | CAS Common Chemistry |
| InChI Key | InChIKey=OSZNNLWOYWAHSS-UHFFFAOYSA-M | CAS Common Chemistry |
| Melting Point | 142-145 °C | CAS Common Chemistry |
| Name | Proserine | CAS Common Chemistry |
| Heavy Atom Count | 22 | RDKit |
| Hydrogen Bond Acceptors | 6 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 95.97 Ų | RDKit |
| LogP | 1.0367000000000002 | RDKit |
| Molar Refractivity | 82.42520000000005 | RDKit |
