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Sograzepide

CAT: 0607-BA5271-1Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0607-BA5271-1Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
155488-25-8
Form
A solid
Molecular Formula
C28H30N6O3
Molecular Weight
498.58
Shipping Conditions
Blue ice
Storage Conditions
-20°C.

Chemical Information

Netazepide

Netazepide has been used in trials studying the prevention and treatment of Dyspepsia, Hypergastrinaemia, Barrett's Esophagus, ECL-cell Hyperplasia, and Rebound Hyperacidity, among others.

CAS Number155488-25-8
PubChem CID9870520
IUPAC Name1-[(3R)-1-(3,3-dimethyl-2-oxobutyl)-2-oxo-5-pyridin-2-yl-3H-1,4-benzodiazepin-3-yl]-3-[3-(methylamino)phenyl]urea
Molecular FormulaC28H30N6O3
Molecular Weight498.6
XLogP3.8
Topological Polar Surface Area116
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count7
Heavy Atom Count37
Formal Charge0
Complexity868
SMILES
CC(C)(C)C(=O)CN1C2=CC=CC=C2C(=N[C@H](C1=O)NC(=O)NC3=CC=CC(=C3)NC)C4=CC=CC=N4
InChI
InChI=1S/C28H30N6O3/c1-28(2,3)23(35)17-34-22-14-6-5-12-20(22)24(21-13-7-8-15-30-21)32-25(26(34)36)33-27(37)31-19-11-9-10-18(16-19)29-4/h5-16,25,29H,17H2,1-4H3,(H2,31,33,37)/t25-/m0/s1
InChIKey
YDZYKNJZCVIKPP-VWLOTQADSA-N
Chemical Structure
2D Structure
2D structure of Netazepide
CAS: 155488-25-8
CID: 9870520
Formula: C28H30N6O3
MW: 498.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight498.6
XLogP33.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count7
Exact Mass498.23793884
Monoisotopic Mass498.23793884
Topological Polar Surface Area116 Ų
Heavy Atom Count37
Formal Charge0
Complexity868
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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