Name: Name:Etoricoxib D4
Brand: Angene
SKU: AG008TLX
Rating: 90 (10 reviews)

Etoricoxib D4

CAS No.:

1131345-14-6

Catalog Number:

AG008TLX

Molecular Formula:

C18H11ClD4N2O2S

Molecular Weight:

362.8665

Pack Size

Purity

Availability

Location

Price(USD)

Quantity

1mg

99%

1 week

United States

$307

- +

5mg

99%

1 week

United States

$807

- +

Catalog Number:

AG008TLX

Chemical Name:

Etoricoxib D4

CAS Number:

1131345-14-6

Molecular Formula:

C18H11ClD4N2O2S

Molecular Weight:

362.8665

MDL Number:

MFCD28900687

IUPAC Name:

5-chloro-2-(6-methylpyridin-3-yl)-3-(2,3,5,6-tetradeuterio-4-methylsulfonylphenyl)pyridine

InChI:

InChI=1S/C18H15ClN2O2S/c1-12-3-4-14(10-20-12)18-17(9-15(19)11-21-18)13-5-7-16(8-6-13)24(2,22)23/h3-11H,1-2H3/i5D,6D,7D,8D

InChI Key:

MNJVRJDLRVPLFE-KDWZCNHSSA-N

SMILES:

Clc1cnc(c(c1)c1c([2H])c([2H])c(c(c1[2H])[2H])S(=O)(=O)C)c1ccc(nc1)C

Complexity:

514

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

362.079g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

362.864g/mol

Monoisotopic Mass:

362.079g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

68.3A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.3