| 2D Structure | |
| CID | 8130 |
| Target | CYP2C19 , CYP2D6 |
| IUPAC Name | heptanal |
| InChI | InChI=1S/C7H14O/c1-2-3-4-5-6-7-8/h7H,2-6H2,1H3 |
| InChI Key | FXHGMKSSBGDXIY-UHFFFAOYSA-N |
| Canonical SMILES | CCCCCCC=O |
| Isomeric SMILES | CCCCCCC=O |
| Molecular Formula | C7H14O |
| Molecular Weight | 114.19 |
| synonyms | ['Heptanal', 'Heptaldehyde', '111-71-7', 'n-Heptaldehyde', 'Enanthal', 'N-HEPTANAL', 'Heptyl aldehyde', 'Heptanaldehyde', 'Oenanthaldehyde', 'n-Heptylaldehyde', 'Oenanthal', 'Oenanthol', 'Enanthic aldehyde', 'Enanthole', 'Oenanthic aldehyde', 'Aldehyde C-7', 'Heptylaldehyde', 'Heptanal (natural)', '1-Heptaldehyde', 'FEMA No. 2540', 'FEMA Number 2541', 'n-C6H13CHO', 'NSC 2190', 'CCRIS 6041', 'HSDB 6026', 'EINECS 203-898-4', 'UNII-92N104S3HF', 'BRN 1560236', 'DTXSID0021597', 'CHEBI:34787', 'AI3-02066', '92N104S3HF', 'NSC-2190', 'DTXCID601597', 'HEPTANAL (ALDEHYDE C-7)', 'EC 203-898-4', 'FEMA NUMBER 2540', '203-898-4', 'Enanthaldehyde', '1-Heptanal', 'heptan-1-al', 'CHEMBL18104', 'CAS-111-71-7', 'MFCD00007028', 'UN3056', 'Oenanthole', 'Heptaldehyde, 95%', 'HEPTANAL [FHFI]', 'HEPTANAL [FCC]', 'HEPTANAL [MI]', 'n-Heptaldehyde [UN3056] [Flammable liquid]', 'N-HEPTANAL [HSDB]', 'WLN: VH6', 'SCHEMBL22542', 'BIDD:ER0302', 'FEMA 2540', 'Heptaldehyde, analytical standard', 'NSC2190', 'Heptanal, >=95%, FCC, FG', 'STR02180', 'Tox21_202173', 'Tox21_302779', 'BDBM50028829', 'LMFA06000001', 'STL453624', 'AKOS000121137', 'FH34726', 'Heptaldehyde, technical, >=95% (GC)', 'NCGC00091807-01', 'NCGC00091807-02', 'NCGC00256491-01', 'NCGC00259722-01', 'DB-041000', 'H0025', 'NS00008989', 'EN300-24060', 'n-Heptaldehyde [UN3056] [Flammable liquid]', 'A802402', 'Q425827', 'F2190-0613', 'InChI=1/C7H14O/c1-2-3-4-5-6-7-8/h7H,2-6H2,1H'] |
From Pubchem