Compound: 1-DOCOSANOL
SMILES: OCCCCCCCCCCCCCCCCCCCCCC
InChIKey: NOPFSRXAKWQILS-UHFFFAOYSA-N
Synonyms: 1-DOCOSANOL, Docosanol, docosan-1-ol, Behenyl alcohol, 661-19-8, Behenic alcohol, n-Docosanol, Docosyl alcohol, Lidavol, Stenol 1822, Lidakol, Lanette 22, Stenol 1822A, 30303-65-2, NSC-8407, 9G1OE216XY, DTXSID4027286, DTXCID907286, CHEBI:31000, NSC8407, Cold Sore Treatment, RefChem:55058, Cold Sore Fever Blister, Julie Cold Sore Treatment, Cold Sore Fever Blister Treatment, DTXSID501053320, 211-546-6, Abreva, Tadenan, Docosanol [USAN], Nacol 22-97, C22H46O, IK 2, NAA 422, MFCD00002939, NSC 8407, Docosanol (Abreva), Docosanol (USAN), NCGC00159370-02, Docosanol (VAN), Docosanol (Abreua), Erazaban, Herepair, IK.2, Healip, Cachalot BE-22, Abreva (TN), HSDB 5739, Loxiol VPG 1451, EINECS 211-546-6, BRN 1770470, UNII-9G1OE216XY, AI3-36489, CCRIS 8943, n-Docosan-1-ol, Docosanol-(1), 1-Docosanol, 98%, DOCOSANOL [II], DOCOSANOL [HSDB], DOCOSANOL [VANDF], N-DOCOSANOL [MI], DOCOSANOL [MART.], EC 211-546-6, DOCOSANOL [WHO-DD], SCHEMBL51925, 4-01-00-01906 (Beilstein Handbook Reference), SCHEMBL340320, orb1310201, SCHEMBL2069115, SCHEMBL2069116, DOCOSANOL [ORANGE BOOK], CHEMBL1200453, SCHEMBL28491160, HMS2093P22, Pharmakon1600-01505729, HY-B0222, Tox21_111611, EBC-26596, LMFA05000008, MSK159778, NSC759235, s1637, SBB060170, AKOS015902887, CCG-213539, DB00632, MSK159778-100M, NSC-759235, Behenyl alcohol, AI3-36489, Behenic alcohol, 1-Docosanol, Docosyl alcohol, IK-2, Tadenan, MSK159778-1000M, NCGC00159370-03, NCGC00159370-04, NCGC00159370-05, 1-Docosanol, purum, >=97.0% (GC), AC-19852, BP-41335, CAS-661-19-8, DA-69546, FD137295, SY012896, Docosanol Solution in Methanol, 100ug/mL, SBI-0206938.P001, Docosanol Solution in Methanol, 1000ug/mL, D0964, NS00009524, ST51046404, D03884, D70615, AB01563123_01, AB01563123_02, EN300-6495479, F240559, SR-05000001915, Q3033497, SR-05000001915-1, BRD-K50050533-001-02-1, BRD-K50050533-001-03-9, BRD-K50050533-001-04-7, A3D72D45-625E-49B5-B0FC-394010B3485D, InChI=1/C22H46O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23/h23H,2-22H2,1H
Theoretical properties:
molecular_formula: C22H46O
molecular_weight: 326.6 g/mol
exact_mass: 326.354866087 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 1
hydrogen_bond_acceptor_count: 1
rotatable_bond_count: 20
heavy_atom_count: 23
topological_polar_surface_area: 20.2 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
physical_state: Colorless waxy solid
color: Colorless waxy solid
boiling_point: 180 °C at 0.22 mm Hg
melting_point: 65-72 °C
density: 0.8063 g/ml at 75 °C; 0.7986 g/ml at 85 °C; 0.7911 g/ml at 95 °C
solubility: Slightly soluble in ether; very soluble in ethanol, methanol, petroleum ether; soluble in chloroform
flash_point: 195 °C
vapor_pressure: 0.00000006 [mmHg]
Descriptions:
pubchem: Docosan-1-ol is a long-chain primary fatty alcohol that is docosane substituted by a hydroxy group at position 1. It is a non-prescription medicine approved by the FDA to shorten healing time of cold sores. It has a role as an antiviral drug and a plant metabolite. It is a docosanol and a long-chain primary fatty alcohol.
chebi: A long-chain primary fatty alcohol that is docosane substituted by a hydroxy group at position 1. It is a non-prescription medicine approved by the FDA to shorten healing time of cold sores.
chembl: DOCOSANOL is a small molecule listed in the ChEMBL database and has reached clinical trial phase 4.0.
wikipedia: 1-Docosanol, also known as behenyl alcohol, is a saturated fatty alcohol containing 22 carbon atoms, used traditionally as an emollient, emulsifier, and thickener in cosmetics.
In July 2000, docosanol was approved for medical use in the United States as an antiviral agent for reducing the duration of cold sores. It is an over-the-counter medication (OTC). It is sold under the brand name Abreva among others.