Lansoprazole sulfone

CAT: 0607-C8562-5Size: 5 mgDry Ice: NoHazardous: No

1 / 1

CAT#:0607-C8562-5Size:5 mg

Selected

24/48H Stock Items & 2 to 6 Weeks non Stock Items.

Quick Request Actions

CAS Number

131926-99-3

Synonyms

AG-1813

Molecular Formula

C16H14F3N3O3S

Molecular Weight

385.36

Storage Conditions

Desiccate at -20°C

Physical Properties

A solid

Chemical Information

Lansoprazole Sulfone

CAS Number	131926-99-3
PubChem CID	10385385
IUPAC Name	2-[[3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methylsulfonyl]-1H-benzimidazole
Molecular Formula	C16H14F3N3O3S
Molecular Weight	385.4
XLogP	3
Topological Polar Surface Area	93.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	5
Heavy Atom Count	26
Formal Charge	0
Complexity	582

SMILES

CC1=C(C=CN=C1CS(=O)(=O)C2=NC3=CC=CC=C3N2)OCC(F)(F)F

InChI

InChI=1S/C16H14F3N3O3S/c1-10-13(20-7-6-14(10)25-9-16(17,18)19)8-26(23,24)15-21-11-4-2-3-5-12(11)22-15/h2-7H,8-9H2,1H3,(H,21,22)

InChIKey

TVMJMCGRSSSSDJ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 131926-99-3

CID: 10385385

Formula: C16H14F3N3O3S

MW: 385.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	385.4
XLogP3	3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	5
Exact Mass	385.07079698
Monoisotopic Mass	385.07079698
Topological Polar Surface Area	93.3 Å²
Heavy Atom Count	26
Formal Charge	0
Complexity	582
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
591361	Lansoprazole sulfone
HY-W008614R	Lansoprazole sulfone (Standard)
HY-W008614S1	Lansoprazole sulfone-13C6
TRC-L175027-25MG	Lansoprazole Sulfone-d4
AR-L01131-01	Lansoprazole EP Impurity B (Lansoprazole Sulfone)
CS-T-57180	Lansoprazole Sulfone N-Oxide