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Ethacridine Lactate
CAS: 1837-57-6 | C18H21N3O4
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
1837-57-6
Molecular Formula:
C18H21N3O4
Molecular Mass:
343.38 g/mol
Names and Synonyms:
Ethacridine Lactate
Propanoic acid, 2-hydroxy-, compd. with 7-ethoxy-3,9-acridinediamine (1:1)
Lactic acid, compd. with 6,9-diamino-2-ethoxyacridine (1:1)
Acridine, 6,9-diamino-2-ethoxy-, lactate
Acridine, 6,9-diamino-2-ethoxy-, monolactate
3,9-Acridinediamine, 7-ethoxy-, 2-hydroxypropanoate (1:1)
Acrinol
Ethacridine lactate
2-Ethoxy-6,9-diaminoacridine lactate
2-Ethoxy-6,9-diaminoacridinium lactate
Flavitrol
Rivanol
Rivinol
Vucine
6,9-Diamino-2-ethoxyacridine lactate
Acrolactine
Akron
Amoebin
Ethodin
Hectalin
Metifex
Rimaon
NSC 36333
Identifiers:
SMILES:
CC(O)C(=O)O.CCOc1ccc2[nH]c3cc(N)ccc3c(=N)c2c1
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)
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 | 343.38 g/mol | CAS Common Chemistry |
| 343.38300000000004 g/mol | RDKit | |
| 343.15320615200005 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 |
| LogP | 2.23327 | RDKit |
| Molar Refractivity | 96.55740000000004 | RDKit |
