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37791-15-4 | 4H-Dibenzo(de,g)quinolinium, 5,6,6a,7-tetrahydro-1,9-dihydroxy-2,10-dimethoxy-6,6-dimethyl-, chloride, (S)-
CAS No: 37791-15-4 Catalog No: AG0077S5 MDL No:
Product Description
Catalog Number:
AG0077S5
Chemical Name:
4H-Dibenzo(de,g)quinolinium, 5,6,6a,7-tetrahydro-1,9-dihydroxy-2,10-dimethoxy-6,6-dimethyl-, chloride, (S)-
CAS Number:
37791-15-4
Molecular Formula:
C20H24ClNO4
Molecular Weight:
377.8619
IUPAC Name:
2,10-dimethoxy-6,6-dimethyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-6-ium-1,9-diol;chloride
InChI:
InChI=1S/C20H23NO4.ClH/c1-21(2)6-5-11-9-17(25-4)20(23)19-13-10-16(24-3)15(22)8-12(13)7-14(21)18(11)19;/h8-10,14H,5-7H2,1-4H3,(H-,22,23);1H
InChI Key:
XKKJKNSMTPBZJP-UHFFFAOYSA-N
SMILES:
COc1cc2c(cc1O)C[C@H]1c3c2c(O)c(OC)cc3CC[N+]1(C)C.[Cl-]
Properties
Complexity:
498
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
377.139g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
377.865g/mol
Monoisotopic Mass:
377.139g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
58.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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