| 2D Structure | |
| CID | 8063 |
| Target | CYP2C19 , CYP2C9 , RXRA |
| IUPAC Name | pentanal |
| InChI | InChI=1S/C5H10O/c1-2-3-4-5-6/h5H,2-4H2,1H3 |
| InChI Key | HGBOYTHUEUWSSQ-UHFFFAOYSA-N |
| Canonical SMILES | CCCCC=O |
| Isomeric SMILES | CCCCC=O |
| Molecular Formula | C5H10O |
| Molecular Weight | 86.13 |
| synonyms | ['Valeraldehyde', 'PENTANAL', '110-62-3', 'n-Pentanal', 'n-Valeraldehyde', 'Valeric aldehyde', 'Valeral', 'Valeryl aldehyde', 'Amylaldehyde', 'Amyl aldehyde', 'Butyl formal', 'Valeric acid aldehyde', 'Valerylaldehyde', 'n-Valeric aldehyde', 'Valerianic aldehyde', 'Pentyl aldehyde', 'FEMA No. 3098', 'FEMA Number 3098', 'n-Valeraldehyde (natural)', 'NSC 35404', 'CCRIS 3220', 'HSDB 851', 'EINECS 203-784-4', 'BRN 1616304', 'DTXSID7021653', 'UNII-B975S3014W', 'CHEBI:84069', 'AI3-16105', 'NSC-35404', 'B975S3014W', 'DTXCID001653', 'EC 203-784-4', '4-01-00-03268 (Beilstein Handbook Reference)', 'N-BUTYL FORMAL', '203-784-4', 'n-valeraldehyde (acgih)', '1-pentanal', 'pentan-1-al', 'MFCD00007026', 'n-C4H9CHO', 'CHEMBL18602', 'Valeraldehyde(Pentanal)', 'Pentanaldehyde', 'UN2058', 'pentylaldehyde', 'pentan-1-one', 'Aldehydes, C5', 'n-BuCHO', 'Valeraldehyde, 97%', 'N-Valeraldehyde, 8CI', 'pentanal (valeraldehyde)', 'PENTANAL [HSDB]', 'Valeraldehyde [UN2058] [Flammable liquid]', 'VALERALDEHYDE [FCC]', 'WLN: VH4', 'N-VALERALDEHYDE [MI]', 'Valeraldehyde, glass-distilled', 'Valeraldehyde, >=97%, FG', 'N-VALERALDEHYDE [FHFI]', 'FEMA 3098', 'MSK1917', 'Valeraldehyde, analytical standard', 'NSC35404', 'STR03921', 'Tox21_300061', 'BBL027632', 'BDBM50028837', 'LMFA06000251', 'STL194259', 'AKOS000119170', 'DB01919', 'UN 2058', 'NCGC00091722-01', 'NCGC00091722-02', 'NCGC00253979-01', 'CAS-110-62-3', 'FV176693', 'PNO', 'NS00006977', 'V0001', 'EN300-19158', 'Valeraldehyde [UN2058] [Flammable liquid]', 'Q420652', 'F2190-0583', 'Z104472992', 'InChI=1/C5H10O/c1-2-3-4-5-6/h5H,2-4H2,1H'] |
From Pubchem