Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D0UD7H
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| Former ID |
DIB018450
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| Drug Name |
1,6-hexamethylene diisocyanate
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| Synonyms |
HMDI; HDI
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| Drug Type |
Small molecular drug
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| Indication | Discovery agent [ICD-11: N.A.] | Investigative | [1] | |
| Structure |
 |
Download2D MOL
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| Formula |
C8H12N2O2
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| Canonical SMILES |
C(CCCN=C=O)CCN=C=O
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| InChI |
1S/C8H12N2O2/c11-7-9-5-3-1-2-4-6-10-8-12/h1-6H2
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| InChIKey |
RRAMGCGOFNQTLD-UHFFFAOYSA-N
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| CAS Number |
CAS 822-06-0
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| PubChem Compound ID | ||||
| PubChem Substance ID |
76570, 588353, 3132927, 4920802, 8159928, 10532153, 10536552, 14916253, 24866192, 24866194, 24874557, 24874558, 24893386, 26757592, 29281357, 30337876, 48417714, 48421569, 49976107, 53787128, 56368636, 57244219, 57328018, 57651377, 78464611, 85247392, 87246469, 87570744, 88824472, 104331113, 104668778, 117587517, 118316851, 124892891, 124892892, 125358134, 126545901, 126674730, 127327879, 127327880, 127327881, 127327882, 127327883, 127327884, 127327885, 129169394, 131327228, 134977770, 135594617, 137008811
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| ChEBI ID |
CHEBI:53578
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| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Transformation-sensitive protein p120 (TRPA1) | Target Info | Activator | [2] |
| KEGG Pathway | Inflammatory mediator regulation of TRP channels | |||
| Reactome | TRP channels | |||
| 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: 6291). | |||
| REF 2 | Transient receptor potential ankyrin 1 antagonists block the noxious effects of toxic industrial isocyanates and tear gases. FASEB J. 2009 Apr;23(4):1102-14. | |||
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