| 2D Structure | |
| CID | 8129 |
| Target | CYP2C19 |
| IUPAC Name | heptan-1-ol |
| InChI | InChI=1S/C7H16O/c1-2-3-4-5-6-7-8/h8H,2-7H2,1H3 |
| InChI Key | BBMCTIGTTCKYKF-UHFFFAOYSA-N |
| Canonical SMILES | CCCCCCCO |
| Isomeric SMILES | CCCCCCCO |
| Molecular Formula | C7H16O |
| Molecular Weight | 116.20 |
| synonyms | ['1-HEPTANOL', 'Heptan-1-ol', 'Heptyl alcohol', 'Heptanol', 'n-Heptanol', 'Enanthic alcohol', 'Hydroxy heptane', 'Hydroxyheptane', 'Hexyl carbinol', 'C7 alcohol', 'Pri-n-heptyl alcohol', 'Heptyl alcohol, primary', '1-heptyl alcohol', 'FEMA Number 2548', 'Heptyl alcohol (natural)', 'HSDB 1077', 'heptanol-1', 'HEPTYL ALCOHOL, N-', 'EINECS 203-897-9', 'BRN 1731686', 'DTXSID8021937', 'AI3-15363', 'FEMA 2548', 'NSC-3703', '1-HEPTANOL [MI]', 'n-C7H15OH', '1-HEPTANOL [HSDB]', 'HEPTYL ALCOHOL [FCC]', 'HEPTYL ALCOHOL [FHFI]', 'DTXCID601937', 'CHEBI:43003', 'EC 203-897-9', '4-01-00-01731 (Beilstein Handbook Reference)', 'EINECS 258-615-7', 'n Heptanol', 'Alcohol, Heptyl', '1 Heptanol', 'nHeptanol', 'n-heptylalcohol', '1Hydroxyheptane', 'nHeptyl alcohol', 'nHeptan1ol', 'NHeptanol1', 'Prinheptyl alcohol', "l'Alcool Nheptylique primaire", 'DTXCID401507100', 'DTXSID401022221', '258-615-7', 'bbmctigttckykf-uhfffaoysa-n', 'inchi=1/c7h16o/c1-2-3-4-5-6-7-8/h8h,2-7h2,1h', '111-70-6', 'n-Heptyl alcohol', 'Gentanol', 'n-Heptan-1-ol', 'Enanthyl alcohol', '1-Hydroxyheptane', 'Alcohol C-7', 'n-Heptanol-1', '53535-33-4', 'FEMA No. 2548', 'NSC 3703', 'Heptane-1-ol', "l'Alcool n-heptylique primaire", 'n-Heptyl--d7 Alcohol', 'N-HEPTYL-D15 ALCOHOL', 'NSC3703', '8JQ5607IO5', '1219804-99-5', '38007-42-0', 'N-Heptanol-1 [French]', 'CAS-111-70-6', 'MFCD00002986', "l'Alcool N-heptylique primaire [French]", 'UNII-8JQ5607IO5', '1-Heptanol purum', 'Alcohol C7', '1-Hept', 'Heptyl alcohol, 8CI', '1-Heptanol, 98%', 'starbld0033280', 'SCHEMBL2077', 'WLN: Q7', 'CHEMBL273459', 'Heptyl alcohol, natural, 98%', '1-Heptanol, analytical standard', 'BDBM22605', 'CHEBI:88619', 'Tox21_201247', 'Tox21_303470', '1-Heptanol, >=99.5% (GC)', 'LMFA05000122', 'STL280281', 'Heptyl alcohol, >=97%, FCC, FG', 'AKOS000120104', 'HY-W099504', '1-Heptanol, purum, >=99.0% (GC)', 'NCGC00249005-01', 'NCGC00257506-01', 'NCGC00258799-01', 'BP-31150', 'LS-13378', 'CS-0152146', 'H0033', 'NS00007978', 'EN300-19352', 'Q113820', 'F0001-0245', 'Z104473596'] |
From Pubchem