Pantoprazole Sodium

CAT: 1489-P1180Size: 1 gDry Ice: NoHazardous: No

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CAT#:1489-P1180Size:1 g

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

138786-67-1

Purity

0.98

Chemical Information

1H-Benzimidazole, 6-(difluoromethoxy)-2-[[(3,4-dimethoxy-2-pyridinyl)methyl]sulfinyl]-, sodium salt (1:1)

CAS Number	138786-67-1
PubChem CID	9822649
Molecular Formula	C16H15F2N3NaO4S
Molecular Weight	406.4
Topological Polar Surface Area	106
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	7
Heavy Atom Count	27
Formal Charge	0
Complexity	490

SMILES

COC1=C(C(=NC=C1)CS(=O)C2=NC3=C(N2)C=C(C=C3)OC(F)F)OC.[Na]

InChI

InChI=1S/C16H15F2N3O4S.Na/c1-23-13-5-6-19-12(14(13)24-2)8-26(22)16-20-10-4-3-9(25-15(17)18)7-11(10)21-16;/h3-7,15H,8H2,1-2H3,(H,20,21);

InChIKey

WHCXDEORRDVLKS-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 138786-67-1

CID: 9822649

Formula: C16H15F2N3NaO4S

MW: 406.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	406.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	7
Exact Mass	406.06490275
Monoisotopic Mass	406.06490275
Topological Polar Surface Area	106 Å²
Heavy Atom Count	27
Formal Charge	0
Complexity	490
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	2
Compound Is Canonicalized	Yes

Catalog	Name
S5360-01	Lactic Acid Sodium Salt; Sodium Lactate
S8213-01	Sodium Chloride
S7010	Sodium Erythorbate
S4921	Sodium molybdate
G8391-01	Sodium Metavanadate
H8710-01	Sodium hippurate
S9860-01	Sodium tetraphenylboron
S6000-01	Saccharin sodium
S4070-01	Sodium Cromoglycate
S5130	Sodium Diatrizoate

Catalog	Name
HY-17507A-01	Pantoprazole (sodium)
T6929-01	Pantoprazole sodium
HY-W739793	Pantoprazole-d8 (sodium)
HY-17507B-01	Pantoprazole (sodium hydrate)
HY-W703279-01	(R) - (+) -Pantoprazole (sodium)
P3040-01	Pantoprazole, Sodium Salt
GTR19206807-01	Pantoprazole Sodium Hydrate