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Molecule
Ethacridine Lactate
CAS: 1837-57-6 · C18H21N3O4
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 1837-57-6
- Molecular Formula
- C18H21N3O4
- Molecular Mass
- 343.38 g/mol
Identifiers
CAS Registry Number
1837-57-6
SMILES
CC(O)C(=O)O.CCOc1ccc2[nH]c3cc(N)ccc3c(=N)c2c1
InChI Key
IYLLULUTZPKQBW-UHFFFAOYSA-N
InChI
InChI=1S/C15H15N3O.C3H6O3/c1-2-19-10-4-6-13-12(8-10)15(17)11-5-3-9(16)7-14(11)18-13;1-2(4)3(5)6/h3-8H,2,16H2,1H3,(H2,17,18);2,4H,1H3,(H,5,6)
Names and Synonyms
- Ethacridine Lactate Common Name
- Propanoic acid, 2-hydroxy-, compd. with 7-ethoxy-3,9-acridinediamine (1:1) Synonym
- Lactic acid, compd. with 6,9-diamino-2-ethoxyacridine (1:1) Synonym
- Acridine, 6,9-diamino-2-ethoxy-, lactate Synonym
- Acridine, 6,9-diamino-2-ethoxy-, monolactate Synonym
- 3,9-Acridinediamine, 7-ethoxy-, 2-hydroxypropanoate (1:1) Synonym
- Acrinol Synonym
- Ethacridine lactate Synonym
- 2-Ethoxy-6,9-diaminoacridine lactate Synonym
- 2-Ethoxy-6,9-diaminoacridinium lactate Synonym
- Flavitrol Synonym
- Rivanol Synonym
- Rivinol Synonym
- Vucine Synonym
- 6,9-Diamino-2-ethoxyacridine lactate Synonym
- Acrolactine Synonym
- Akron Synonym
- Amoebin Synonym
- Ethodin Synonym
- Hectalin Synonym
- Metifex Synonym
- Rimaon Synonym
- NSC 36333 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 343.38 g/mol | CAS Common Chemistry |
| 343.38300000000004 g/mol | RDKit | |
| 343.383 g/mol | RDKit | |
| Canonical SMILES | O=C(O)C(O)C.N=1C=2C=CC(OCC)=CC2C(N)=C3C=CC(N)=CC13 | CAS Common Chemistry |
| InChI | InChI=1S/C15H15N3O.C3H6O3/c1-2-19-10-4-6-13-12(8-10)15(17)11-5-3-9(16)7-14(11)18-13;1-2(4)3(5)6/h3-8H,2,16H2,1H3,(H2,17,18);2,4H,1H3,(H,5,6) | CAS Common Chemistry |
| InChI Key | InChIKey=IYLLULUTZPKQBW-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Ethacridine lactate | CAS Common Chemistry |
| Heavy Atom Count | 25 | RDKit |
| Hydrogen Bond Acceptors | 5 | RDKit |
| Hydrogen Bond Donors | 5 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 3 | RDKit |
| Topological Polar Surface Area | 132.42000000000002 Ų | RDKit |
| 132.42 Ų | RDKit | |
| LogP | 2.23327 | RDKit |
| 2.2333 | RDKit | |
| Molar Refractivity | 96.55740000000004 cm³/mol | RDKit |
| Ring Count | 3 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.2222 | RDKit |
| 0.22 | chempirical lib | |
| Exact Mass | 343.15320615200005 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
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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 = 343.38 g/mol. Edit any field — others recompute live.
