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1215833-62-7 | 9H-Pyrido[3,4-b]indole-3-carboxylic acid, 4-ethyl-6,7-dimethoxy-, methyl ester, hydrochloride (1:1)
CAS No: 1215833-62-7 Catalog No: AG0015BG MDL No:
Product Description
Catalog Number:
AG0015BG
Chemical Name:
9H-Pyrido[3,4-b]indole-3-carboxylic acid, 4-ethyl-6,7-dimethoxy-, methyl ester, hydrochloride (1:1)
CAS Number:
1215833-62-7
Molecular Formula:
C17H19ClN2O4
Molecular Weight:
350.7968
IUPAC Name:
methyl 4-ethyl-6,7-dimethoxy-9H-pyrido[3,4-b]indole-3-carboxylate;hydrochloride
InChI:
InChI=1S/C17H18N2O4.ClH/c1-5-9-15-10-6-13(21-2)14(22-3)7-11(10)19-12(15)8-18-16(9)17(20)23-4;/h6-8,19H,5H2,1-4H3;1H
InChI Key:
FHCRBVQGMZUJKY-UHFFFAOYSA-N
SMILES:
COC(=O)c1ncc2c(c1CC)c1cc(OC)c(cc1[nH]2)OC.Cl
Properties
Complexity:
433
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
350.103g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
350.799g/mol
Monoisotopic Mass:
350.103g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
73.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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