Tu-100
Basic information
- CAS
1310907-71-1- Standard SMILES
CN1C2C(=O)c3ccccc3C1C1=C2C(=O)c2ccccc2C1=O- InChIKey
KAYRGFYBCCETPE-UHFFFAOYSA-N- Molecular formula
- C20H13NO3
- Average molar mass
- 315.3 g/mol
- Monoisotopic mass
- 315.08954328
Overview
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.
Names & identifiers
- Preferred name
- Tu-100
- IUPAC
- 20-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
Names & synonyms
TU-100UNII-N3KQ8A1E0XN3KQ8A1E0X1310907-71-15H-Benzo(4,5)cyclohepta(1,2-b)naphthalene-5,12-imine-6,11,13(12H)-trione, 14-methyl-20-methyl-20-azapentacyclo(10.7.1.0^(2,11).0^(4,9).0^(13,18))icosa-2(11),4,6,8,13,15,17-heptaene-3,10,19-trione20-methyl-20-azapentacyclo[10.7.1.0^{2,11}.0^{4,9}.0^{13,18}]icosa-2(11),4,6,8,13,15,17-heptaene-3,10,19-trioneRefChem:192419Daikenchuto Extract GranulesTU 100Japanese Pepper/Ginger/Ginseng-based Supplement TU-100Zanthoxylum Fructus/Zingiberis Siccatum Rhizoma/Ginseng Radix-based Supplement TU-100
Show more names
199488-13-6TU100orb2814726CHEMBL4297331SCHEMBL29483203DB12467T202987Q27284513
Database identifiers
- CAS
1310907-71-1- PubChem CID
- 72942015
- ChEMBL
CHEMBL4297331- UNII
- N3KQ8A1E0X
- Nikkaji
- J2.947.150I
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 54.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 678
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…