Drug Information
| Drug General Information | Top | |||
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| Drug ID |
D02WJT
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| Former ID |
DIB018447
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| Drug Name |
1,3-ditolylguanidine
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| Synonyms |
1,3-Di-o-tolylguanidine; 97-39-2; Di-o-tolylguanidine; DOTG; Vulkacite DOTG; 1,3-Ditolylguanidine; Vulkacit DOTG; Eveite DOTG; ditolylguanidine; Vulkacit dotg/C; Nocceler DT; Sanceler DT; DOTG accelerator; Soxinol DT; Akrochem DOTG; Vulcafor DOTG; 1,3-Bis(o-tolyl)guanidine; Guanidine, N,N'-bis(2-methylphenyl)-; Diorthotolylguanidine; 1,3-Di-o-tolyguanidine; N,N'-Di-o-tolylguanidine; Guanidine, 1,3-di-o-tolyl-; USAF A-6598; NSC 473; CNS 1001; N,N'-Di-o-tolueylguanidine; UNII-LL2P01I17O; 1,3-di-(2-tolyl)guanidine; NSC 132023; [3H]-di-o-tolylguanidine; DITOLYLGUANIDINE
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| Drug Type |
Small molecular drug
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| Indication | Discovery agent [ICD-11: N.A.] | Investigative | [1], [2], [3] | |
| Structure |
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Download2D MOL |
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| Formula |
C15H17N3
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| Canonical SMILES |
CC1=CC=CC=C1NC(=NC2=CC=CC=C2C)N
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| 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 Number |
CAS 97-39-2
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| PubChem Compound ID | ||||
| PubChem Substance ID |
67379, 421771, 608776, 5345628, 10538891, 11082497, 11113733, 11408506, 15245918, 24852467, 26751918, 29226199, 47217104, 47960055, 48417003, 49974694, 57264422, 57324125, 80796261, 85085712, 85788117, 87567542, 88836001, 95613214, 103186197, 103917675, 103922363, 104231736, 104314644, 117406144, 117406145, 124582153, 124955039, 125248765, 126678594, 128843064, 131342556, 134341179, 134973014, 135377911, 135562599, 135697791, 137013863, 137103439, 137237355, 142445880, 143432249, 144207910, 151979930, 152055630
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| ChEBI ID |
CHEBI:92585
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| References | Top | |||
|---|---|---|---|---|
| REF 1 | URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 6685). | |||
| REF 2 | URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 6684). | |||
| REF 3 | Synthesis and pharmacological evaluation of N,N'-diarylguanidines as potent sodium channel blockers and anticonvulsant agents. J Med Chem. 1998 Aug 13;41(17):3298-302. | |||
| REF 4 | Sigma1 and sigma2 receptor binding affinity and selectivity of SA4503 and fluoroethyl SA4503. Synapse. 2006 May;59(6):350-8. | |||
| REF 5 | Synthesis and characterization of [125I]-N-(N-benzylpiperidin-4-yl)-4- iodobenzamide, a new sigma receptor radiopharmaceutical: high-affinity bindi... J Med Chem. 1994 Jun 10;37(12):1737-9. | |||
| REF 6 | URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Target id: 2553). | |||
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