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Proglumide
CAS: 6620-60-6 | C18H26N2O4
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
6620-60-6
Molecular Formula:
C18H26N2O4
Molecular Mass:
334.42 g/mol
Names and Synonyms:
Proglumide
Pentanoic acid, 4-(benzoylamino)-5-(dipropylamino)-5-oxo-
Glutaramic acid, 4-benzamido-N,N-dipropyl-, DL-
Pentanoic acid, 4-(benzoylamino)-5-(dipropylamino)-5-oxo-, (±)-
4-(Benzoylamino)-5-(dipropylamino)-5-oxopentanoic acid
DL-4-Benzamido-N,N-dipropylglutaramic acid
Proglumide
CR 242
Xyde
Xylamide
Xylamide (gastroprotective agent)
Milid
W 5219
Binoside
Gastrotopic
Midelid
Milide
Nulsa
Ulcutin
Promide (parasympatholytic)
(±)-Proglumide
DL-Proglumide
Promid
Identifiers:
SMILES:
CCCN(CCC)C(=O)C(CCC(=O)O)N=C(O)c1ccccc1
InChI:
InChI=1S/C18H26N2O4/c1-3-12-20(13-4-2)18(24)15(10-11-16(21)22)19-17(23)14-8-6-5-7-9-14/h5-9,15H,3-4,10-13H2,1-2H3,(H,19,23)(H,21,22)
Key Properties
Melting Point
143.5 °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 | 334.42 g/mol | CAS Common Chemistry |
| 334.416 g/mol | RDKit | |
| 334.189257312 g/mol | RDKit | |
| Canonical SMILES | O=C(O)CCC(NC(=O)C=1C=CC=CC1)C(=O)N(CCC)CCC | CAS Common Chemistry |
| InChI | InChI=1S/C18H26N2O4/c1-3-12-20(13-4-2)18(24)15(10-11-16(21)22)19-17(23)14-8-6-5-7-9-14/h5-9,15H,3-4,10-13H2,1-2H3,(H,19,23)(H,21,22) | CAS Common Chemistry |
| InChI Key | InChIKey=DGMKFQYCZXERLX-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 143.5 °C | CAS Common Chemistry |
| Name | Proglumide | CAS Common Chemistry |
| Heavy Atom Count | 24 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 10 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 90.2 Ų | RDKit |
| LogP | 2.8732000000000006 | RDKit |
| Molar Refractivity | 93.42760000000006 | RDKit |
