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Venritidine

CAT: 0013-GTR19241571-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19241571-01Size:10 mg
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Description
Venritidine (D 16637) is a histamine H2 receptor antagonist. This small molecule research compound is utilized in in vitro and in vivo studies to investigate gastric acid secretion and related gastrointestinal physiology.
CAS Number
93050-14-7
Smiles
O=[N+] ([O-]) C=C (NCCSCC1=CC=C (CNC2C3CC4C (C24) C3) O1) NC
Molecular Formula
C18H26N4O3S
Molecular Weight
378.49
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

(+/-)-(Z)-N-Methyl-2-nitro-N'-(2-((5-((tricyclo(2.2.1.o(sup 2,6))hept-3-ylamino)methyl)furfuryl)thio)ethyl)-1,1-ethenediamine
CAS Number93050-14-7
PubChem CID119057995
IUPAC Name(Z)-1-N-methyl-2-nitro-1-N'-[2-[[5-[[[(1R,3R)-3-tricyclo[2.2.1.02,6]heptanyl]amino]methyl]furan-2-yl]methylsulfanyl]ethyl]ethene-1,1-diamine
Molecular FormulaC18H26N4O3S
Molecular Weight378.5
XLogP0.9
Topological Polar Surface Area120
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count10
Heavy Atom Count26
Formal Charge0
Complexity543
SMILES
CN/C(=C/[N+](=O)[O-])/NCCSCC1=CC=C(O1)CN[C@@H]2C3C[C@H]4C2C4C3
InChI
InChI=1S/C18H26N4O3S/c1-19-16(9-22(23)24)20-4-5-26-10-13-3-2-12(25-13)8-21-18-11-6-14-15(7-11)17(14)18/h2-3,9,11,14-15,17-21H,4-8,10H2,1H3/b16-9-/t11?,14-,15?,17?,18-/m1/s1
InChIKey
NIEBFIZWKXFMDD-VSCCENDKSA-N
Chemical Structure
2D Structure
2D structure of (+/-)-(Z)-N-Methyl-2-nitro-N'-(2-((5-((tricyclo(2.2.1.o(sup 2,6))hept-3-ylamino)methyl)furfuryl)thio)ethyl)-1,1-ethenediamine
CAS: 93050-14-7
CID: 119057995
Formula: C18H26N4O3S
MW: 378.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight378.5
XLogP30.9
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count10
Exact Mass378.17256188
Monoisotopic Mass378.17256188
Topological Polar Surface Area120 Ų
Heavy Atom Count26
Formal Charge0
Complexity543
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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CatalogName
T202956-01Venritidine

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