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TU-100

CAT: 0013-GTR19242457-02Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19242457-02Size:10 mg
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Description
TU-100 is a research compound used in studies of chronic gastrointestinal disorders, including irritable bowel syndrome and Crohn's disease. It has been investigated in vivo for improving post-hepatectomy motility and modulating inflammatory markers like CRP.
CAS Number
1310907-71-1
Smiles
O=C1C=2C=CC=CC2C (=O) C3=C1C4C (=O) C=5C=CC=CC5C3N4C
Molecular Formula
C20H13NO3
Molecular Weight
315.32
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Tu-100

TU-100 has been used in trials studying the treatment of Abdominal Pain, Colonic Transit, Crohn's Disease, Rectal Sensation, and Gastric Emptying, among others.

CAS Number1310907-71-1
PubChem CID72942015
IUPAC Name20-methyl-20-azapentacyclo[10.7.1.02,11.04,9.013,18]icosa-2(11),4,6,8,13,15,17-heptaene-3,10,19-trione
Molecular FormulaC20H13NO3
Molecular Weight315.3
XLogP2.4
Topological Polar Surface Area54.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count0
Heavy Atom Count24
Formal Charge0
Complexity678
SMILES
CN1C2C3=CC=CC=C3C(=O)C1C4=C2C(=O)C5=CC=CC=C5C4=O
InChI
InChI=1S/C20H13NO3/c1-21-16-10-6-2-3-7-11(10)20(24)17(21)15-14(16)18(22)12-8-4-5-9-13(12)19(15)23/h2-9,16-17H,1H3
InChIKey
KAYRGFYBCCETPE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Tu-100
CAS: 1310907-71-1
CID: 72942015
Formula: C20H13NO3
MW: 315.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight315.3
XLogP32.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count0
Exact Mass315.08954328
Monoisotopic Mass315.08954328
Topological Polar Surface Area54.5 Ų
Heavy Atom Count24
Formal Charge0
Complexity678
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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