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1837-57-6 molecular structure
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2-hydroxypropanoic acid; 7-ethoxyacridine-3,9-diamine

ChemBase ID: 121643
Molecular Formular: C18H21N3O4
Molecular Mass: 343.37704
Monoisotopic Mass: 343.15320617
SMILES and InChIs

SMILES:
c12c(c3c(nc1ccc(c2)OCC)cc(cc3)N)N.C(=O)(C(O)C)O
Canonical SMILES:
OC(=O)C(O)C.CCOc1ccc2c(c1)c(N)c1c(n2)cc(cc1)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)
InChIKey:
IYLLULUTZPKQBW-UHFFFAOYSA-N

Cite this record

CBID:121643 http://www.chembase.cn/molecule-121643.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-hydroxypropanoic acid; 7-ethoxyacridine-3,9-diamine
IUPAC Traditional name
6,9-diamino-2-ethoxyacridine; lactic acid
2-hydroxypropanoic acid; 7-ethoxyacridine-3,9-diamine
Synonyms
7-ethoxyacridine-3,9-diamine 2-hydroxypropanoate
Ethacridine lactate
Acrinol
Rivanol
Ethacridine
CAS Number
1837-57-6
442-16-0
PubChem SID
162215996
PubChem CID
15789
ATC CODE
B05CA08
D08AA01
CHEMBL
582355
Chemspider ID
15012
KEGG ID
D01248
Wikipedia Title
Ethacridine_lactate

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 0.34966347  LogD (pH = 7.4) 0.37737724 
Log P 2.0475123  Molar Refractivity 76.6701 cm3
Polarizability 31.169264 Å3 Polar Surface Area 74.16 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Salt Data
D,L-Lactic acid expand Show data source
Application(s)
Antiseptic expand Show data source
Disinfectant expand Show data source

DETAILS

DETAILS

Wikipedia Wikipedia

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
  • • Albert, A. et al., Chem. Ind. (London), 1942, 159, (synth)
  • • Sasa, T., Yuki Gosei Kagaku Kyokaishi, 1954, 12, 24; CA, 51, 2780, (synth)
  • • Gabler, K. et al., Pharmazie, 1957, 12, 79, (rev)
  • • Khaletskii, A.M. et al., Zh. Obshch. Khim., 1958, 28, 2821; CA, 53, 9224
  • • Florea, I., Rev. Roum. Chim., 1972, 17, 1457, (detn, P)
  • • U.S.S.R. Pat., 1974, 433 332; CA, 1975, 82, 51103m, (detn, Cl2, ClO(-))
  • • Rising, T.J. et al., Arzneim.-Forsch., 1977, 27, 872; 1978, 28, 631, (metab)
  • • Neidle, S. et al., Acta Cryst. B, 1982, 38, 2420, (cryst struct)
  • • Negwer, M., Organic-Chemical Drugs and their Synonyms, 6th edn., Akademie-Verlag, 1987, 3536, (synonyms)
  • • Martindale, The Extra Pharmacopoeia, 30th edn., Pharmaceutical Press, 1993, 782
  • • Lewis, R.J., Sax's Dangerous Properties of Industrial Materials, 8th edn., Van Nostrand Reinhold, 1992, EDW500
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PATENTS

PATENTS

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INTERNET

INTERNET

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