Tu-100
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
Molecular Identity
Tu-100
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
PubChem CID: 72942015
2D Structure
Properties
C20H13NO3
Molecular Formula
315.30
Molecular Weight
g/mol
315.0895
Exact Mass
Da
2.4
XLogP
Drug-like (Lipinski: < 5)
54.5
TPSA
Good oral absorption (< 140 A²)
0
H-Bond Donors
4
H-Bond Acceptors
678
Complexity
SMILES
Canonical SMILES
SMILES: CN1C2C3=CC=CC=C3C(=O)C1C4=C2C(=O)C5=CC=CC=C5C4=OIsomeric SMILES
SMILES: CN1C2C3=CC=CC=C3C(=O)C1C4=C2C(=O)C5=CC=CC=C5C4=OSynonyms(20)
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-100199488-13-6TU100orb2814726
Data from PubChem (NCBI)
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