2-hydroxypropanoic acid 7-ethoxyacridine-3,9-diamine hydrate

• ChemBase ID: 104893
• Molecular Formular: C18H23N3O5
• Molecular Mass: 361.39232
• Monoisotopic Mass: 361.16377085
• SMILES: O.CCOc1cc2c(N)c3ccc(N)cc3nc2cc1.CC(O)C(=O)O
• Canonical SMILES: OC(=O)C(O)C.CCOc1ccc2c(c1)c(N)c1c(n2)cc(cc1)N.O
• InChI: InChI=1S/C15H15N3O.C3H6O3.H2O/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);1H2
• InChIKey: NYEPHMYJRNWPLA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-hydroxypropanoic acid 7-ethoxyacridine-3,9-diamine hydrate
• IUPAC Traditional name: 6,9-diamino-2-ethoxyacridine lactic acid hydrate; 2-ethoxy-6,9-diaminoacridine lactic acid hydrate
• Synonyms: Ethacridine lactate monohydrate; Acrinol; Ethacridine lactate salt; 6,9-Diamino-2-ethoxyacridine-DL-lactate monohydrate; Ethodin; 6,9-DIAMINO-2-ETHOXYACRIDINE LACTATE MONOHYDRATE; 依沙吖啶 乳酸盐; 利凡诺; 利凡诺尔; 乳酸依沙吖啶 一水合物

Database IDs

• CAS Number: 6402-23-9; 1837-57-6
• EC Number: 217-408-1
• MDL Number: MFCD00149646
• Beilstein Number: 3642805
• PubChem SID: 24893510; 24845356; 162092279
• PubChem CID: 165457

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 0.34966347
• LogD (pH = 7.4): 0.37737724
• Log P: 2.0475123
• Molar Refractivity: 76.6701 cm^3
• Polarizability: 31.169264 Å^3
• Polar Surface Area: 74.16 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 240-245 °C (dec.); 243-245 °C(lit.)

Safety Information

• Storage Condition: 0°C, Desiccate
• RTECS: OD4725000
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-36
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Pharmacology Properties

• Target: Others

Product Information

• Purity: ≥98.0% (NT); 97%; 99%
• Grade: purum
• Salt Data: Lactate
• Empirical Formula (Hill Notation): C15H15N3O · C3H6O3 · H2O

DETAILS

MP Biomedicals - 02157581

Monohydrate
Purity: 97%
Crystalline
For preparation of γ-globulin^1 , plasminogen and ceruloplasmin^2 .

Sigma Aldrich - D16606

Packaging
25, 100 g in glass bottle

Sigma Aldrich - 02670

Other Notes
Employed in the Feulgen staining procedure for the quantitative DNA determination of fluorescent cells1

REFERENCES

• Miller, K.D., Nature , 184 : 450 (1959).
• Saifer, A. and Lipkin, L.E., Proc. Soc. Exptl. Biol. and Med. , 102 : 220 (1959).
• Steinbuch, M. and Niewiarowski, S., Nature , 186 : 87 (1960).
• Patras, B., et al., Fed. Proc. , 20 : 74 (1961).