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115464-65-8 | 6H-Pyrido[4,3-b]carbazol-1-amine, 9-methoxy-5,11-dimethyl-N-propyl-, (2Z)-2-butenedioate (1:1)
CAS No: 115464-65-8 Catalog No: AG000G17 MDL No:
Product Description
Catalog Number:
AG000G17
Chemical Name:
6H-Pyrido[4,3-b]carbazol-1-amine, 9-methoxy-5,11-dimethyl-N-propyl-, (2Z)-2-butenedioate (1:1)
CAS Number:
115464-65-8
Molecular Formula:
C25H27N3O5
Molecular Weight:
449.4990
IUPAC Name:
but-2-enedioic acid;9-methoxy-5,11-dimethyl-N-propyl-6H-pyrido[4,3-b]carbazol-1-amine
InChI:
InChI=1S/C21H23N3O.C4H4O4/c1-5-9-22-21-19-13(3)18-16-11-14(25-4)6-7-17(16)24-20(18)12(2)15(19)8-10-23-21;5-3(6)1-2-4(7)8/h6-8,10-11,24H,5,9H2,1-4H3,(H,22,23);1-2H,(H,5,6)(H,7,8)
InChI Key:
ZOSBVKBQIAFUFG-UHFFFAOYSA-N
SMILES:
OC(=O)/C=C\C(=O)O.CCCNc1nccc2c1c(C)c1c(c2C)[nH]c2c1cc(OC)cc2
Properties
Complexity:
577
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
449.195g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
449.507g/mol
Monoisotopic Mass:
449.195g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
125A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
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