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Chromonar hydrochloride

CAT: 0926-FC20422Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0926-FC20422Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
655-35-6
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
Smiles
CCN (CC) CCC1=C (C2=C (C=C (C=C2) OCC (=O) OCC) OC1=O) C.Cl
Molecular Formula
C20H28ClNO5
Molecular Weight
397.89 g/mol
Controlled
No

Chemical Information

Chromonar Hydrochloride

Carbocromen hydrochloride is a member of coumarins.

CAS Number655-35-6
PubChem CID9800972
IUPAC Nameethyl 2-[3-[2-(diethylamino)ethyl]-4-methyl-2-oxochromen-7-yl]oxyacetate;hydrochloride
Molecular FormulaC20H28ClNO5
Molecular Weight397.9
Topological Polar Surface Area65.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count10
Heavy Atom Count27
Formal Charge0
Complexity526
SMILES
CCN(CC)CCC1=C(C2=C(C=C(C=C2)OCC(=O)OCC)OC1=O)C.Cl
InChI
InChI=1S/C20H27NO5.ClH/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;1H
InChIKey
KSQIAZKOUOEHSA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Chromonar Hydrochloride
CAS: 655-35-6
CID: 9800972
Formula: C20H28ClNO5
MW: 397.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight397.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count10
Exact Mass397.1656007
Monoisotopic Mass397.1656007
Topological Polar Surface Area65.1 Ų
Heavy Atom Count27
Formal Charge0
Complexity526
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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