Tenatoprazole 100mg

CAT: 0628-A14272-100Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0628-A14272-100Size:100 mg

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CAS Number

113712-98-4

Chemical Information

Tenatoprazole

5-methoxy-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]-1H-imidazo[4,5-b]pyridine is an imidazopyridine.

CAS Number	113712-98-4
PubChem CID	636411
IUPAC Name	5-methoxy-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]-1H-imidazo[4,5-b]pyridine
Molecular Formula	C16H18N4O3S
Molecular Weight	346.4
XLogP	1.8
Topological Polar Surface Area	109
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	5
Heavy Atom Count	24
Formal Charge	0
Complexity	455

SMILES

CC1=CN=C(C(=C1OC)C)CS(=O)C2=NC3=C(N2)C=CC(=N3)OC

InChI

InChI=1S/C16H18N4O3S/c1-9-7-17-12(10(2)14(9)23-4)8-24(21)16-18-11-5-6-13(22-3)19-15(11)20-16/h5-7H,8H2,1-4H3,(H,18,19,20)

InChIKey

ZBFDAUIVDSSISP-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 113712-98-4

CID: 636411

Formula: C16H18N4O3S

MW: 346.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	346.4
XLogP3	1.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	5
Exact Mass	346.10996162
Monoisotopic Mass	346.10996162
Topological Polar Surface Area	109 Å²
Heavy Atom Count	24
Formal Charge	0
Complexity	455
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes