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4-Hydroxy Lansoprazole Sulfide

CAT: 0572-TRC-H943700-50MGSize: 50 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-H943700-50MGSize:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
131926-95-9
Synonyms
4-Hydroxy Lansoprazole Sulfide
Hazard Statement
No Data Available
Smiles
Cc1c(OCC(F)(F)F)ccnc1CSc2nc3cccc(O)c3[nH]2
Molecular Formula
C16 H14 F3 N3 O2 S
Molecular Weight
369.361
InChI
InChI=1S/C16H14F3N3O2S/c1-9-11(20-6-5-13(9)24-8-16(17,18)19)7-25-15-21-10-3-2-4-12(23)14(10)22-15/h2-6,23H,7-8H2,1H3,(H,21,22)
Additionnal Information
IUPAC name: 2-[[3-methyl-4-(2,2,2-trifluoroethoxy)pyridin-2-yl]methylsulfanyl]-3H-benzimidazol-4-ol
Shipping Conditions
Room Temperature

Chemical Information

4-Hydroxy Lansoprazole Sulfide
CAS Number131926-95-9
PubChem CID71749086
IUPAC Name2-[[3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methylsulfanyl]-1H-benzimidazol-4-ol
Molecular FormulaC16H14F3N3O2S
Molecular Weight369.4
XLogP3.9
Topological Polar Surface Area96.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count5
Heavy Atom Count25
Formal Charge0
Complexity443
SMILES
CC1=C(C=CN=C1CSC2=NC3=C(N2)C=CC=C3O)OCC(F)(F)F
InChI
InChI=1S/C16H14F3N3O2S/c1-9-11(20-6-5-13(9)24-8-16(17,18)19)7-25-15-21-10-3-2-4-12(23)14(10)22-15/h2-6,23H,7-8H2,1H3,(H,21,22)
InChIKey
OQGIYDJVVFOGGO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-Hydroxy Lansoprazole Sulfide
CAS: 131926-95-9
CID: 71749086
Formula: C16H14F3N3O2S
MW: 369.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight369.4
XLogP33.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count5
Exact Mass369.07588236
Monoisotopic Mass369.07588236
Topological Polar Surface Area96.3 Ų
Heavy Atom Count25
Formal Charge0
Complexity443
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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Alternative Products

CatalogName
279122-014-Hydroxy lansoprazole sulfide
GTR19208414-015-Hydroxy Lansoprazole Sulfide
AR-L01135-016-Hydroxy Lansoprazole Sulfide
sc-484570N-[3-Methyl-4- (2,2,2-trifluoroethoxy) -2-pyridinyl]methyl Lansoprazole Sulfide
sc-487305N-[3-Methyl-4- (2,2,2-trifluoroethoxy) -2-pyridinyl]methyl Lansoprazole-d4 Sulfide
573458Lansoprazole sulfide
HY-W013186S1Lansoprazole sulfide-13C6
MBS5766969Lansoprazole Sulfide D4
sc-280900Lansoprazole Sulfide-d4
CS-O-42601N-Nitroso Lansoprazole sulfide

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