200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 116685-95-1
116685-95-1 | Benzamide, N-[2-[4-[2-(diphenylmethoxy)ethyl]-1-piperazinyl]ethyl]-2-hydroxy-, dimethanesulfonate (salt) (9CI)
CAS No: 116685-95-1 Catalog No: AG000CZX MDL No:
Product Description
Catalog Number:
AG000CZX
Chemical Name:
Benzamide, N-[2-[4-[2-(diphenylmethoxy)ethyl]-1-piperazinyl]ethyl]-2-hydroxy-, dimethanesulfonate (salt) (9CI)
CAS Number:
116685-95-1
Molecular Formula:
C30H41N3O9S2
Molecular Weight:
651.7912
IUPAC Name:
N-[2-[4-(2-benzhydryloxyethyl)piperazin-1-yl]ethyl]-2-hydroxybenzamide;methanesulfonic acid
InChI:
InChI=1S/C28H33N3O3.2CH4O3S/c32-26-14-8-7-13-25(26)28(33)29-15-16-30-17-19-31(20-18-30)21-22-34-27(23-9-3-1-4-10-23)24-11-5-2-6-12-24;2*1-5(2,3)4/h1-14,27,32H,15-22H2,(H,29,33);2*1H3,(H,2,3,4)
InChI Key:
CKYJOHWQCOCVSX-UHFFFAOYSA-N
SMILES:
CS(=O)(=O)O.CS(=O)(=O)O.O=C(c1ccccc1O)NCCN1CCN(CC1)CCOC(c1ccccc1)c1ccccc1
Properties
Complexity:
658
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
651.228g/mol
Formal Charge:
0
Heavy Atom Count:
44
Hydrogen Bond Acceptor Count:
11
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
651.79g/mol
Monoisotopic Mass:
651.228g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
191A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.