AG0019E4

138530-95-7 | 1H-Benzimidazole, 2-[(S)-[[3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]sulfinyl]-

AG0019E4

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CAS Number	138530-95-7
Catalog Number	AG0019E4(AGN-PC-0PMV05)
Chemical Name	1H-Benzimidazole, 2-[(S)-[[3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]sulfinyl]-
IUPAC Name	2-[(S)-[3-methyl-4-(2,2,2-trifluoroethoxy)pyridin-2-yl]methylsulfinyl]-1H-benzimidazole
InChI	InChI=1S/C16H14F3N3O2S/c1-10-13(20-7-6-14(10)24-9-16(17,18)19)8-25(23)15-21-11-4-2-3-5-12(11)22-15/h2-7H,8-9H2,1H3,(H,21,22)/t25-/m0/s1
InChI Key	MJIHNNLFOKEZEW-VWLOTQADSA-N
MDL Number	MFCD16294176
Molecular Formula	C16H14F3N3O2S
Molecular Weight	369.3615
SMILES	O=[S@](C1=NC2=CC=CC=C2N1)CC3=NC=CC(OCC(F)(F)F)=C3C
UNII	FB55O16184
Synonyms	(S)-Lansoprazole, Levolansoprazole, 138530-95-7, (-)-Lansoprazole, UNII-FB55O16184, (S)-2-(((3-Methyl-4-(2,2,2-trifluoroethoxy)pyridin-2-yl)methyl)sulfinyl)-1H-benzo[d]imidazole, FB55O16184, Levolansoprazole [INN], SCHEMBL22366, CTK8E9750, DTXSID70160706, MJIHNNLFOKEZEW-VWLOTQADSA-N, ZINC3830986, AKOS027383932, AC-30441, RT-013464, FT-0670722, A807399, J-007155, UNII-0K5C5T2QPG component MJIHNNLFOKEZEW-VWLOTQADSA-N, (S)-2-[[[3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]sulfinyl]-1H-benzimidazole, 2-[(S)-[[3-Methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]sulfinyl]-1H-benzimidazole, 2-[(S)-[3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methylsulfinyl]-1H-benzimidazole, 2-[(S)-[3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridyl]methylsulfinyl]-1H-benzimidazole, 2-[(S)-[3-methyl-4-[2,2,2-tris(fluoranyl)ethoxy]pyridin-2-yl]methylsulfinyl]-1H-benzimidazole, lansoprazole, CID9578006, 138530-94-6,

Complexity	480
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	369.076g/mol
Formal Charge	0
Heavy Atom Count	25
Hydrogen Bond Acceptor Count	8
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	369.362g/mol
Monoisotopic Mass	369.076g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	87.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.8

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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