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155444-09-0 | Dibenzo(c,f)(1,2)thiazepine, 6,11-dihydro-6-methyl-11-(2-(1-pyrrolidin yl)ethoxy)-, 5,5-dioxide(Z)-2-butenedioate (1
CAS No: 155444-09-0 Catalog No: AG00AYPT MDL No:
Product Description
Catalog Number:
AG00AYPT
Chemical Name:
Dibenzo(c,f)(1,2)thiazepine, 6,11-dihydro-6-methyl-11-(2-(1-pyrrolidin yl)ethoxy)-, 5,5-dioxide(Z)-2-butenedioate (1
CAS Number:
155444-09-0
IUPAC Name:
(E)-but-2-enedioic acid;6-methyl-11-(2-pyrrolidin-1-ylethoxy)-11H-benzo[c][1,2]benzothiazepine 5,5-dioxide
InChI:
InChI=1S/C20H24N2O3S.C4H4O4/c1-21-18-10-4-2-8-16(18)20(25-15-14-22-12-6-7-13-22)17-9-3-5-11-19(17)26(21,23)24;5-3(6)1-2-4(7)8/h2-5,8-11,20H,6-7,12-15H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+
InChI Key:
JOPYULOJQGTWIS-WLHGVMLRSA-N
Properties
Complexity:
689
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
488.162g/mol
Formal Charge:
0
Heavy Atom Count:
34
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
488.555g/mol
Monoisotopic Mass:
488.162g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
133A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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