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1417343-80-6 | (+)-cis-4,5,7a,8,9,10,11,11a-Octahydro-7H-10-methylindolo[1,7-bc][2,6]-naphthyridinefumarate
CAS No: 1417343-80-6 Catalog No: AG01ENRC MDL No:
Product Description
Catalog Number:
AG01ENRC
Chemical Name:
(+)-cis-4,5,7a,8,9,10,11,11a-Octahydro-7H-10-methylindolo[1,7-bc][2,6]-naphthyridinefumarate
CAS Number:
1417343-80-6
Molecular Formula:
C19H24N2O4
Molecular Weight:
344.4049
IUPAC Name:
(E)-but-2-enedioic acid;(2R,7S)-4-methyl-4,9-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(15),12(16),13-triene
InChI:
InChI=1S/C15H20N2.C4H4O4/c1-16-7-5-12-9-17-8-6-11-3-2-4-13(15(11)17)14(12)10-16;5-3(6)1-2-4(7)8/h2-4,12,14H,5-10H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+/t12-,14-;/m1./s1
InChI Key:
DXUZZRDHJMOLTN-MRYVXRNOSA-N
SMILES:
CN1CC[C@H]2[C@@H](C1)c1cccc3c1N(C2)CC3.OC(=O)/C=C/C(=O)O
Properties
Complexity:
422
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
1
Exact Mass:
344.174g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
344.411g/mol
Monoisotopic Mass:
344.174g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
81.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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