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Niperotidine

CAT: 0013-GTR19205296-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19205296-01Size:25 mg
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Description
Niperotidine is a selective histamine H2 receptor antagonist used in research to investigate gastric acid secretion. It is a valuable tool for in vitro and in vivo studies exploring gastrointestinal physiology and receptor pharmacology.
CAS Number
84845-75-0
Field of Research
Immunology & Inflammation, Neuroscience, Pharmacology & Drug Discovery
Smiles
CN (C) Cc1ccc (CSCCN\C (NCc2ccc3OCOc3c2) =C\[N+] ([O-]) =O) o1
Molecular Formula
C20H26N4O5S
Molecular Weight
434.51
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Niperotidine

Niperotidine is a member of benzodioxoles.

CAS Number84845-75-0
PubChem CID66753191
IUPAC Name1-N'-(1,3-benzodioxol-5-ylmethyl)-1-N-[2-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]ethyl]-2-nitroethene-1,1-diamine
Molecular FormulaC20H26N4O5S
Molecular Weight434.5
XLogP2.9
Topological Polar Surface Area130
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count11
Heavy Atom Count30
Formal Charge0
Complexity574
SMILES
CN(C)CC1=CC=C(O1)CSCCNC(=C[N+](=O)[O-])NCC2=CC3=C(C=C2)OCO3
InChI
InChI=1S/C20H26N4O5S/c1-23(2)11-16-4-5-17(29-16)13-30-8-7-21-20(12-24(25)26)22-10-15-3-6-18-19(9-15)28-14-27-18/h3-6,9,12,21-22H,7-8,10-11,13-14H2,1-2H3
InChIKey
HXRSXEDVVARPHP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Niperotidine
CAS: 84845-75-0
CID: 66753191
Formula: C20H26N4O5S
MW: 434.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight434.5
XLogP32.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count11
Exact Mass434.16239112
Monoisotopic Mass434.16239112
Topological Polar Surface Area130 Ų
Heavy Atom Count30
Formal Charge0
Complexity574
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count1
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
MBS3846404-01Niperotidine
A21981-25Niperotidine 25mg
A21981-10Niperotidine 10mg
A21981-5Niperotidine 5mg
A21981-100Niperotidine 100mg
A21981-50Niperotidine 50mg
A21981-1Niperotidine 1mg

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