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Molecule
Meglumine Antimoniate
CAS: 133-51-7 · C7H18NO8Sb
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 133-51-7
- Molecular Formula
- C7H18NO8Sb
- Molecular Mass
- 365.98 g/mol
Identifiers
CAS Registry Number
133-51-7
SMILES
C[NH2+]C[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.[O].[O].[O].[Sb-]
InChI Key
JLGCKKAHTCRITP-SESJOKTNSA-O
InChI
InChI=1S/C7H17NO5.3O.Sb/c1-8-2-4(10)6(12)7(13)5(11)3-9;;;;/h4-13H,2-3H2,1H3;;;;/q;;;;-1/p+1/t4-,5+,6+,7+;;;;/m0..../s1
Names and Synonyms
- Meglumine Antimoniate Synonym
- Protostib Synonym
- Glucantime Synonym
- Methylglucamine antimonate Synonym
- N-Methylglucamine antimonate Synonym
- D-Glucitol, 1-deoxy-1-(methylamino)-, trioxoantimonate(1-) Synonym
- Glucitol, 1-deoxy-1-(methylamino)-, compd. with antimonic acid (HSbO3) (1:1), D- Synonym
- D-Glucitol, 1-deoxy-1-(methylamino)-, compd. with antimonic acid (HSbO3) (1:1) Synonym
- Glucitol, 1-deoxy-1-(methylamino)-, antimonate(V) Synonym
- Antimonic acid (HSbO3), compd. with D-1-deoxy-1-(methylamino)glucitol (1:1) Synonym
- Antimonate (SbO31-), hydrogen, compd. with 1-deoxy-1-(methylamino)-D-glucitol (1:1) Synonym
- 2168RP Synonym
- Meglumine antimonate Synonym
- Meglumine antimoniate Synonym
- Glucantim Synonym
- RP 2168 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 365.98 g/mol | CAS Common Chemistry |
| 365.97999999999996 g/mol | RDKit | |
| 374.044 g/mol | chempirical lib | |
| Canonical SMILES | [H+].O=[Sb-](=O)=O.OCC(O)C(O)C(O)C(O)CNC | CAS Common Chemistry |
| InChI | InChI=1S/C7H17NO5.3O.Sb/c1-8-2-4(10)6(12)7(13)5(11)3-9;;;;/h4-13H,2-3H2,1H3;;;;/q;;;;-1/p+1/t4-,5+,6+,7+;;;;/m0..../s1 | CAS Common Chemistry |
| InChI Key | InChIKey=JLGCKKAHTCRITP-SESJOKTNSA-O | CAS Common Chemistry |
| Name | Meglumine antimoniate | CAS Common Chemistry |
| Heavy Atom Count | 17 | RDKit |
| Hydrogen Bond Acceptors | 5 | RDKit |
| Hydrogen Bond Donors | 6 | RDKit |
| Rotatable Bonds | 6 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 203.26000000000002 Ų | RDKit |
| 203.26 Ų | RDKit | |
| LogP | -5.121699999999995 | RDKit |
| -5.1217 | RDKit | |
| Molar Refractivity | 51.64290000000003 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 365.00705723600004 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
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.
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MW = 365.98 g/mol. Edit any field — others recompute live.
