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115043-27-1 | 2H-1,4-Benzothiazin-3(4H)-one, 4-methyl-2-(1-methylethyl)-2-[2-[4-[4-[2-(3,4,5-trimethoxyphenyl)ethyl]-1-piperazinyl]butoxy]phenyl]-, hydrochloride (1:2), (2R)-
CAS No: 115043-27-1 Catalog No: AG000FRD MDL No:
Product Description
Catalog Number:
AG000FRD
Chemical Name:
2H-1,4-Benzothiazin-3(4H)-one, 4-methyl-2-(1-methylethyl)-2-[2-[4-[4-[2-(3,4,5-trimethoxyphenyl)ethyl]-1-piperazinyl]butoxy]phenyl]-, hydrochloride (1:2), (2R)-
CAS Number:
115043-27-1
IUPAC Name:
(2R)-4-methyl-2-propan-2-yl-2-[2-[4-[4-[2-(3,4,5-trimethoxyphenyl)ethyl]piperazin-1-yl]butoxy]phenyl]-1,4-benzothiazin-3-one;dihydrochloride
InChI:
InChI=1S/C37H49N3O5S.2ClH/c1-27(2)37(36(41)38(3)30-14-8-10-16-34(30)46-37)29-13-7-9-15-31(29)45-24-12-11-18-39-20-22-40(23-21-39)19-17-28-25-32(42-4)35(44-6)33(26-28)43-5;;/h7-10,13-16,25-27H,11-12,17-24H2,1-6H3;2*1H/t37-;;/m1../s1
InChI Key:
HQTMLRUQTHILKM-CHKASDEDSA-N
Properties
Complexity:
921
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
719.293g/mol
Formal Charge:
0
Heavy Atom Count:
48
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
720.791g/mol
Monoisotopic Mass:
719.293g/mol
Rotatable Bond Count:
14
Topological Polar Surface Area:
89A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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