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Andolast

CAT: 0013-GTR19198248-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19198248-02Size:50 mg
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Description
Andolast (CR-2039) is a small molecule anti-allergic agent investigated for bronchial asthma and COPD. It functions by suppressing immunoglobulin E synthesis at multiple cellular levels. Research, including in vivo and in vitro studies, demonstrates its efficacy over placebo in improving airflow and controlling daily and nocturnal asthma symptoms.
CAS Number
132640-22-3
Field of Research
Metabolism Research
Smiles
O=C (Nc1ccc (cc1) -c1nnn[nH]1) c1ccc (cc1) -c1nnn[nH]1
Molecular Formula
C15H11N9O
Molecular Weight
333.31
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Andolast

Andolast is a small molecule drug. Andolast has a monoisotopic molecular weight of 333.11 Da.

CAS Number132640-22-3
PubChem CID65970
IUPAC Name4-(2H-tetrazol-5-yl)-N-[4-(2H-tetrazol-5-yl)phenyl]benzamide
Molecular FormulaC15H11N9O
Molecular Weight333.31
XLogP1.2
Topological Polar Surface Area138
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Heavy Atom Count25
Formal Charge0
Complexity448
SMILES
C1=CC(=CC=C1C2=NNN=N2)C(=O)NC3=CC=C(C=C3)C4=NNN=N4
InChI
InChI=1S/C15H11N9O/c25-15(11-3-1-9(2-4-11)13-17-21-22-18-13)16-12-7-5-10(6-8-12)14-19-23-24-20-14/h1-8H,(H,16,25)(H,17,18,21,22)(H,19,20,23,24)
InChIKey
VXEBMQZDPONDFB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Andolast
CAS: 132640-22-3
CID: 65970
Formula: C15H11N9O
MW: 333.31
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight333.31
XLogP31.2
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Exact Mass333.10865601
Monoisotopic Mass333.10865601
Topological Polar Surface Area138 Ų
Heavy Atom Count25
Formal Charge0
Complexity448
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
HY-106358AAndolast
HY-106358-01Andolast (free base)
HY-106358R-01Andolast (free base) (Standard)

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