Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D09CSB
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| Former ID |
DIB019661
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| Drug Name |
crotylaldehyde
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| Synonyms |
Crotonaldehyde; CROTONALDEHYDE; 2-Butenal; Crotylaldehyde; Crotonal; (2E)-but-2-enal; trans-Crotonaldehyde; 123-73-9; Crotonic aldehyde; (E)-Crotonaldehyde; (E)-but-2-enal; trans-2-Butenal; Methylpropenal; Propylene aldehyde; 1-Formylpropene; beta-Methylacrolein; 4170-30-3; 2-Butenal, (2E)-; Aldehyde crotonique; 2-Butenaldehyde; but-2-enal; Topanel; trans- Crotonal; 2-Butenal, (E)-; Topanel CA; trans-but-2-enal; RCRA waste number U053; E-2-Butenal; beta-Methyl acrolein; trans-2-butenaldehyde; Krotonaldehyd [Czech]; (E)-2-Butenal; CROTONALDEHYDE, (E)-; 2-butenal; crotonal; trans-crotonaldehyde
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| Drug Type |
Small molecular drug
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| Indication | Discovery agent [ICD-11: N.A.] | Investigative | [1], [2] | |
| Structure |
 |
Download2D MOL |
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| Formula |
C4H6O
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| Canonical SMILES |
CC=CC=O
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| InChI |
1S/C4H6O/c1-2-3-4-5/h2-4H,1H3/b3-2+
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| InChIKey |
MLUCVPSAIODCQM-NSCUHMNNSA-N
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| CAS Number |
CAS 4170-30-3
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| PubChem Compound ID | ||||
| PubChem Substance ID |
588757, 3135925, 7886769, 10300064, 10505973, 12079627, 15119607, 17389091, 24855882, 24856634, 24856909, 36889620, 46506682, 48413490, 48417959, 48421414, 48423176, 48424992, 49854338, 49857273, 53788937, 57404814, 57578591, 57648285, 80251969, 88826801, 92252162, 93617929, 103756899, 104152850, 104638056, 117394408, 118053751, 121269907, 124490049, 124890059, 125275609, 125308765, 125326097, 125331757, 126673196, 126687941, 128614242, 131296683, 131363803, 132003401, 134368184, 134984616, 135019002, 135551782
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| ChEBI ID |
CHEBI:41607
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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: 6288). | |||
| REF 2 | How many drug targets are there Nat Rev Drug Discov. 2006 Dec;5(12):993-6. | |||
| REF 3 | Cigarette smoke-induced neurogenic inflammation is mediated by alpha,beta-unsaturated aldehydes and the TRPA1 receptor in rodents. J Clin Invest. 2008 Jul;118(7):2574-82. | |||
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