Back to Search
Polaprezinc
CAS: 107667-60-7 | C9H12N4O3Zn
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
107667-60-7
Molecular Formula:
C9H12N4O3Zn
Molecular Mass:
289.61 g/mol
Names and Synonyms:
Polaprezinc
Zinc, [β-alanyl-κN-L-histidinato(2-)-κN,κO]-
Zinc, [N-β-alanyl-L-histidinato(2-)-N,NN,Oα]-
L-Histidine, N-β-alanyl-, zinc complex
Z 103
Zinc L-carnosine
Polaprezinc
β-Alanyl-L-histidinato zinc
Promac
Promac (antiulcer agent)
Identifiers:
SMILES:
NCCC(=O)[N-][C@@H](Cc1cnc[nH]1)C(=O)[O-].[Zn+2]
InChI:
InChI=1S/C9H14N4O3.Zn/c10-2-1-8(14)13-7(9(15)16)3-6-4-11-5-12-6;/h4-5,7H,1-3,10H2,(H3,11,12,13,14,15,16);/q;+2/p-2/t7-;/m0./s1
Key Properties
Melting Point
>300 °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 | 289.61 g/mol | CAS Common Chemistry |
| 288.02008244399997 g/mol | RDKit | |
| Canonical SMILES | O=C1[O-][Zn+2]2[N-](C(=O)CC[NH2]2)C1CC3=CN=CN3 | CAS Common Chemistry |
| InChI | InChI=1S/C9H14N4O3.Zn/c10-2-1-8(14)13-7(9(15)16)3-6-4-11-5-12-6;/h4-5,7H,1-3,10H2,(H3,11,12,13,14,15,16);/q;+2/p-2/t7-;/m0./s1 | CAS Common Chemistry |
| InChI Key | InChIKey=IGXZLYMCFZHNKW-FJXQXJEOSA-L | CAS Common Chemistry |
| Melting Point | >300 °C | CAS Common Chemistry |
| Name | Polaprezinc | CAS Common Chemistry |
| Heavy Atom Count | 17 | RDKit |
| Hydrogen Bond Acceptors | 5 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 6 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 126.0 Ų | RDKit |
| LogP | -1.682699999999999 | RDKit |
| Molar Refractivity | 53.12410000000001 | RDKit |
