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1356906-16-5 | 2-[2-[2-(4-Dibenzo[b,f][1,4]thiazepin-11-yl-1-piperazinyl)ethoxy]ethoxy]ethanol FuMarate
CAS No: 1356906-16-5 Catalog No: AG009FRD MDL No:
Product Description
Catalog Number:
AG009FRD
Chemical Name:
2-[2-[2-(4-Dibenzo[b,f][1,4]thiazepin-11-yl-1-piperazinyl)ethoxy]ethoxy]ethanol FuMarate
CAS Number:
1356906-16-5
IUPAC Name:
2-[2-[2-(4-benzo[b][1,4]benzothiazepin-6-ylpiperazin-1-yl)ethoxy]ethoxy]ethanol;(Z)-but-2-enedioic acid
InChI:
InChI=1S/C23H29N3O3S.C4H4O4/c27-14-16-29-18-17-28-15-13-25-9-11-26(12-10-25)23-19-5-1-3-7-21(19)30-22-8-4-2-6-20(22)24-23;5-3(6)1-2-4(7)8/h1-8,27H,9-18H2;1-2H,(H,5,6)(H,7,8)/b;2-1-
InChI Key:
ZVKYKGOAUIBMRR-BTJKTKAUSA-N
Properties
Complexity:
661
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
543.204g/mol
Formal Charge:
0
Heavy Atom Count:
38
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
543.635g/mol
Monoisotopic Mass:
543.204g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
157A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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