200,000+ products from a single source!
sales@angenechem.com
82387-03-9 | 11-(2-DIMETHYLAMINOETHYL)-11H-DIBENZO[B,F]-1,4-OXATHIEPIN HYDROGEN OXA LATE
CAS No: 82387-03-9 Catalog No: AG004WZN MDL No:
Product Description
Catalog Number:
AG004WZN
Chemical Name:
11-(2-DIMETHYLAMINOETHYL)-11H-DIBENZO[B,F]-1,4-OXATHIEPIN HYDROGEN OXA LATE
CAS Number:
82387-03-9
Molecular Formula:
C19H21NO5S
Molecular Weight:
375.4387
IUPAC Name:
2-(6H-benzo[b][1,5]benzoxathiepin-6-yl)-N,N-dimethylethanamine;oxalic acid
InChI:
InChI=1S/C17H19NOS.C2H2O4/c1-18(2)12-11-16-13-7-3-4-8-14(13)19-15-9-5-6-10-17(15)20-16;3-1(4)2(5)6/h3-10,16H,11-12H2,1-2H3;(H,3,4)(H,5,6)
InChI Key:
VUWMOHMAZSLLTJ-UHFFFAOYSA-N
SMILES:
OC(=O)C(=O)O.CN(CCC1Sc2ccccc2Oc2c1cccc2)C
Properties
Complexity:
381
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
375.114g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
375.439g/mol
Monoisotopic Mass:
375.114g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
112A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.