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Molecule
Glafenine
CAS: 3820-67-5 · C19H17ClN2O4
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 3820-67-5
- Molecular Formula
- C19H17ClN2O4
- Molecular Mass
- 372.81 g/mol
Identifiers
CAS Registry Number
3820-67-5
SMILES
O=C(OCC(O)CO)c1ccccc1Nc1ccnc2cc(Cl)ccc12
InChI Key
GWOFUCIGLDBNKM-UHFFFAOYSA-N
InChI
InChI=1S/C19H17ClN2O4/c20-12-5-6-14-17(7-8-21-18(14)9-12)22-16-4-2-1-3-15(16)19(25)26-11-13(24)10-23/h1-9,13,23-24H,10-11H2,(H,21,22)
Names and Synonyms
- Glafenine Synonym
- Benzoic acid, 2-[(7-chloro-4-quinolinyl)amino]-, 2,3-dihydroxypropyl ester Synonym
- Anthranilic acid, N-(7-chloro-4-quinolyl)-, 2,3-dihydroxypropyl ester Synonym
- Glycerol, 1-[N-(7-chloro-4-quinolyl)anthranilate] Synonym
- R 1707 Synonym
- 4-[2-(β,γ-Dihydroxypropoxycarbonyl)phenylamino]-7-chloroquinoline Synonym
- 2,3-Dihydroxypropyl N-(7-chloro-4-quinolyl)anthranilate Synonym
- Glaphenine Synonym
- Glifanan Synonym
- Glycerylaminophenaquine Synonym
- Glafenine Synonym
- Glaphenin Synonym
- 2,3-Dihydroxypropyl-N-(7-chloro-4-quinolinyl)anthranilate Synonym
- N-(7-Chloro-4-quinolyl)anthranilic acid 2,3-dihydroxypropyl ester Synonym
- 4-[(2-Carboxyphenyl)amino]-7-chloroquinoline α-monoglyceride Synonym
- 2-[(7-Chloro-4-quinolyl)amino]benzoic acid α-glyceride Synonym
- Glifan Synonym
- Alcidon Synonym
- Dolomate Synonym
- Glafenin Synonym
- Glicafan Synonym
- Glifanar Synonym
- Privadol Synonym
- 2,3-Dihydroxypropyl 2-((7-chloroquinolin-4-yl)amino)benzoate Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 372.81 g/mol | CAS Common Chemistry |
| 372.80800000000005 g/mol | RDKit | |
| 372.808 g/mol | RDKit | |
| 372.805 g/mol | chempirical lib | |
| Canonical SMILES | O=C(OCC(O)CO)C=1C=CC=CC1NC=2C=CN=C3C=C(Cl)C=CC32 | CAS Common Chemistry |
| InChI | InChI=1S/C19H17ClN2O4/c20-12-5-6-14-17(7-8-21-18(14)9-12)22-16-4-2-1-3-15(16)19(25)26-11-13(24)10-23/h1-9,13,23-24H,10-11H2,(H,21,22) | CAS Common Chemistry |
| InChI Key | InChIKey=GWOFUCIGLDBNKM-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 169.5 °C | CAS Common Chemistry |
| Name | Glafenine | CAS Common Chemistry |
| Heavy Atom Count | 26 | RDKit |
| Hydrogen Bond Acceptors | 6 | RDKit |
| Hydrogen Bond Donors | 3 | RDKit |
| Rotatable Bonds | 6 | RDKit |
| Aromatic Ring Count | 3 | RDKit |
| Topological Polar Surface Area | 91.68 Ų | RDKit |
| 91.15 Ų | chempirical lib | |
| LogP | 3.141800000000001 | RDKit |
| 3.1418 | RDKit | |
| Molar Refractivity | 99.85280000000002 cm³/mol | RDKit |
| Ring Count | 3 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.1579 | RDKit |
| 0.16 | chempirical lib | |
| Exact Mass | 372.087684704 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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| Shift (ppm) | DEPT | Assignment |
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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 = 372.81 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C19H17ClN2O4.
