General Information of the Compound
| Compound ID |
CP0013421
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| Compound Name |
CAS_97-39-2
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| Synonyms |
1,3-Bis(o-tolyl)guanidine
1,3-Di-o-tolyguanidine
1,3-Di-o-tolylguanidine
1,3-Ditolylguanidine
1,3-di-(2-tolyl)guanidine
1,3-ditolylguanidine
97-39-2
Akrochem DOTG
CNS 1001
DITOLYLGUANIDINE
DOTG
DOTG accelerator
Di-o-tolylguanidine
Diorthotolylguanidine
Eveite DOTG
Guanidine, 1,3-di-o-tolyl-
Guanidine, N,N'-bis(2-methylphenyl)-
N,N'-Di-o-tolueylguanidine
N,N'-Di-o-tolylguanidine
NSC 132023
NSC 473
Nocceler DT
Sanceler DT
Soxinol DT
UNII-LL2P01I17O
USAF A-6598
Vulcafor DOTG
Vulkacit DOTG
Vulkacit dotg/C
Vulkacite DOTG
[3H]-di-o-tolylguanidine
ditolylguanidine
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| Structure |
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| Formula |
C15H17N3
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| Molecular Weight |
239.322
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| Canonical SMILES |
Cc1ccccc1NC(N)=Nc1ccccc1C
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| InChI |
InChI=1S/C15H17N3/c1-11-7-3-5-9-13(11)17-15(16)18-14-10-6-4-8-12(14)2/h3-10H,1-2H3,(H3,16,17,18)
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| InChIKey |
OPNUROKCUBTKLF-UHFFFAOYSA-N
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| CAS |
46913-50-2
60297-72-5
132116-33-7
97-39-2
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound
Clinical Information about the Compound
Drug 1 ( 1,3-ditolylguanidine )
| Drug Name | 1,3-ditolylguanidine | ||
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| Target(s) |
Sigma intracellular receptor 2 (TMEM97)
Agonist
Opioid receptor sigma 1 (OPRS1)
Agonist
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