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Lansoprazole Impurity 17

CAT: 1299-RM-L191643-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-L191643-01Size:10 mg
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CAS Number
1346598-28-4
Synonyms
12- ((1H-benzo[d]imidazol-2-yl) thio) -1-methyl-2- (2,2,2-trifluoroethoxy) benzo[4',5']imidazo[2',1':2,3]imidazo[1,5-a]pyridine
Molecular Formula
C23H16F3N5OS
Molecular Weight
467.47
Target Alternative Name
Lansoprazole
Product Name Synonym
12- ((1H-benzo[d]imidazol-2-yl) thio) -1-methyl-2- (2,2,2-trifluoroethoxy) benzo[4',5']imidazo[2',1':2,3]imidazo[1,5-a]pyridine

Chemical Information

Unii-MJ2A99A26H
CAS Number1346598-28-4
PubChem CID58129422
IUPAC Name16-(1H-benzimidazol-2-ylsulfanyl)-14-methyl-13-(2,2,2-trifluoroethoxy)-1,8,10-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-2,4,6,8,11,13,15-heptaene
Molecular FormulaC23H16F3N5OS
Molecular Weight467.5
XLogP7.9
Topological Polar Surface Area85.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Heavy Atom Count33
Formal Charge0
Complexity822
SMILES
CC1=C(C=CN2C1=C(N3C2=NC4=CC=CC=C43)SC5=NC6=CC=CC=C6N5)OCC(F)(F)F
InChI
InChI=1S/C23H16F3N5OS/c1-13-18(32-12-23(24,25)26)10-11-30-19(13)20(31-17-9-5-4-8-16(17)29-22(30)31)33-21-27-14-6-2-3-7-15(14)28-21/h2-11H,12H2,1H3,(H,27,28)
InChIKey
BJRFQGDDNNBKOB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Unii-MJ2A99A26H
CAS: 1346598-28-4
CID: 58129422
Formula: C23H16F3N5OS
MW: 467.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight467.5
XLogP37.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Exact Mass467.10276581
Monoisotopic Mass467.10276581
Topological Polar Surface Area85.4 Ų
Heavy Atom Count33
Formal Charge0
Complexity822
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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