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Padoprazanum (hydrochloride)

CAT: 0804-HY-400540C-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-400540C-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Padoprazanum (Padoprazan) hydrochloride is a Proton Pump inhibitor[1].
CAS Number
2940882-02-8
UNSPSC
12352005
Target
Proton Pump
Related Pathways
Membrane Transporter/Ion Channel
Field of Research
Inflammation/Immunology
Purity
98.70
Smiles
FC1=C(C2=C(OC)C(CNC)=CN2S(C3=CC=C(OC)N=C3)(=O)=O)C=CC=C1.Cl
Molecular Formula
C19H21ClFN3O4S
Molecular Weight
441.90
References & Citations
[1]Padoprazanum (Padoprazan) . WHO Drug Information, Vol. 37, No. 4, 2023.
Shipping Conditions
Room Temperature
Storage Conditions
Store at room temperature, keep dry and cool
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

Padoprazanum (hydrochloride)
CAS Number2940882-02-8
PubChem CID177675007
IUPAC Name1-[5-(2-fluorophenyl)-4-methoxy-1-(6-methoxypyridin-3-yl)sulfonylpyrrol-3-yl]-N-methylmethanamine;hydrochloride
Molecular FormulaC19H21ClFN3O4S
Molecular Weight441.9
Topological Polar Surface Area90.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count7
Heavy Atom Count29
Formal Charge0
Complexity602
SMILES
CNCC1=CN(C(=C1OC)C2=CC=CC=C2F)S(=O)(=O)C3=CN=C(C=C3)OC.Cl
InChI
InChI=1S/C19H20FN3O4S.ClH/c1-21-10-13-12-23(28(24,25)14-8-9-17(26-2)22-11-14)18(19(13)27-3)15-6-4-5-7-16(15)20;/h4-9,11-12,21H,10H2,1-3H3;1H
InChIKey
ILKLWDUJMMQTDS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Padoprazanum (hydrochloride)
CAS: 2940882-02-8
CID: 177675007
Formula: C19H21ClFN3O4S
MW: 441.9
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight441.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count7
Exact Mass441.0925332
Monoisotopic Mass441.0925332
Topological Polar Surface Area90.8 Ų
Heavy Atom Count29
Formal Charge0
Complexity602
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes