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Lansoprazole sodium

CAT: 0127-BUP16163-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0127-BUP16163-01Size:10 mg
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CAS Number
226904-00-3
Synonyms
Lansoprazole (sodium), AG-1749 sodium
Purity
=98%
Smiles
O=S(C1=NC2=CC=CC=C2[N-]1)CC3=NC=CC(OCC(F)(F)F)=C3C.[Na+]

Chemical Information

Lansoprazole Sodium

See also: Lansoprazole (has active moiety).

CAS Number226904-00-3
PubChem CID12044540
IUPAC Namesodium 2-[[3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methylsulfinyl]benzimidazol-1-ide
Molecular FormulaC16H13F3N3NaO2S
Molecular Weight391.3
Topological Polar Surface Area72.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count9
Rotatable Bond Count5
Heavy Atom Count26
Formal Charge0
Complexity486
SMILES
CC1=C(C=CN=C1CS(=O)C2=NC3=CC=CC=C3[N-]2)OCC(F)(F)F.[Na+]
InChI
InChI=1S/C16H13F3N3O2S.Na/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;/q-1;+1
InChIKey
OTGPYEHFRKGRIZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Lansoprazole Sodium
CAS: 226904-00-3
CID: 12044540
Formula: C16H13F3N3NaO2S
MW: 391.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight391.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count9
Rotatable Bond Count5
Exact Mass391.05782661
Monoisotopic Mass391.05782661
Topological Polar Surface Area72.3 Ų
Heavy Atom Count26
Formal Charge0
Complexity486
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
GTR19217512-01Lansoprazole sodium
HY-13662ALansoprazole (sodium)
A18306-500Lansoprazole sodium 500mg
A18306-50Lansoprazole sodium 50mg
A18306-10mM-DLansoprazole sodium 10mM * 1mL in DMSO
RM-R021608-01Rabeprazole Sodium EP Impurity F; Lansoprazole EP Impurity E
RM-R021627-01Rabeprazole Sodium Impurity I; Lansoprazole EP Impurity F Sulfide
RM-L191606-01Lansoprazole EP Impurity F; Rabeprazole Sodium EP Impurity H
RM-L191604-01Lansoprazole EP Impurity D; Rabeprazole Sodium Impurity Z; Domperidone Impurity 17
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