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5-Hydroxylansoprazole

CAT: 0607-BA6942-10Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0607-BA6942-10Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
131926-98-2
Form
A solid
Molecular Formula
C16H14F3N3O3S
Molecular Weight
385.36
Shipping Conditions
Blue ice
Storage Conditions
-20°C.

Chemical Information

5-Hydroxylansoprazole

structure in first source

CAS Number131926-98-2
PubChem CID9800271
IUPAC Name2-[[3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methylsulfinyl]-3H-benzimidazol-5-ol
Molecular FormulaC16H14F3N3O3S
Molecular Weight385.4
XLogP2.7
Topological Polar Surface Area107
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count5
Heavy Atom Count26
Formal Charge0
Complexity511
SMILES
CC1=C(C=CN=C1CS(=O)C2=NC3=C(N2)C=C(C=C3)O)OCC(F)(F)F
InChI
InChI=1S/C16H14F3N3O3S/c1-9-13(20-5-4-14(9)25-8-16(17,18)19)7-26(24)15-21-11-3-2-10(23)6-12(11)22-15/h2-6,23H,7-8H2,1H3,(H,21,22)
InChIKey
IDCLTMRSSAXUNY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5-Hydroxylansoprazole
CAS: 131926-98-2
CID: 9800271
Formula: C16H14F3N3O3S
MW: 385.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight385.4
XLogP32.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count5
Exact Mass385.07079698
Monoisotopic Mass385.07079698
Topological Polar Surface Area107 Ų
Heavy Atom Count26
Formal Charge0
Complexity511
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
HY-118283-015-Hydroxylansoprazole
MBS57733505-Hydroxylansoprazole sulfone
sc-2627255,5,5-Trifluorovaleronitrile
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