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655-35-6 molecular structure
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ethyl 2-({3-[2-(diethylamino)ethyl]-4-methyl-2-oxo-2H-chromen-7-yl}oxy)acetate

ChemBase ID: 164740
Molecular Formular: C20H27NO5
Molecular Mass: 361.43208
Monoisotopic Mass: 361.18892297
SMILES and InChIs

SMILES:
c1(ccc2c(c1)oc(=O)c(c2C)CCN(CC)CC)OCC(=O)OCC
Canonical SMILES:
CCOC(=O)COc1ccc2c(c1)oc(=O)c(c2C)CCN(CC)CC
InChI:
InChI=1S/C20H27NO5/c1-5-21(6-2)11-10-17-14(4)16-9-8-15(12-18(16)26-20(17)23)25-13-19(22)24-7-3/h8-9,12H,5-7,10-11,13H2,1-4H3
InChIKey:
KLOIYEQEVSIOOO-UHFFFAOYSA-N

Cite this record

CBID:164740 http://www.chembase.cn/molecule-164740.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
ethyl 2-({3-[2-(diethylamino)ethyl]-4-methyl-2-oxo-2H-chromen-7-yl}oxy)acetate
IUPAC Traditional name
cardiocap
Synonyms
2-[[3-[2-(Diethylamino)ethyl]-4-methyl-2-oxo-2H-1-benzopyran-7-yl]oxy]acetic Acid Ethyl Ester Hydrochloride
3-(2-Diethylaminoethyl)-4-methyl-7-carbethoxymethoxy-2-oxo-1,2-chromene Hydrochloride
Carbochromen Hydrochloride
Carbochromene Hydrochloride
Carbocromen Hydrochloride
Intercordin
Interkordin
NSC 110430
Chromonar Hydrochloride
CAS Number
655-35-6
PubChem SID
162258875
PubChem CID
12604

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
TRC C432685 external link Add to cart
PubChem 12604 external link
Data Source Data ID Price
TRC
C432685 external link Add to cart Please log in.
Data Source Data ID
PubChem 12604 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -0.5165245  LogD (pH = 7.4) 1.0273727 
Log P 2.7315712  Molar Refractivity 100.0069 cm3
Polarizability 38.92814 Å3 Polar Surface Area 65.07 Å2
Rotatable Bonds 10  Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
MSDS Link
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Certificate of Analysis
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DETAILS

DETAILS

TRC TRC
Toronto Research Chemicals - C432685 external link
Vasodilator (coronary).

REFERENCES

REFERENCES

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  • • Nitz, R.E., et al.: Arzneim.-Forsch., 13, 243 (1963)
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PATENTS

PATENTS

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INTERNET

INTERNET

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