Details of the Active Pharmaceutical Ingredient (API)

General Information of API (ID: D00909)
Name
Cannabidiol
Synonyms    Click to Show/Hide the Synonyms of This API
cannabidiol; 13956-29-1; (-)-Cannabidiol; (-)-trans-Cannabidiol; Epidiolex; CBD; UNII-19GBJ60SN5; (-)-trans-2-p-Mentha-1,8-dien-3-yl-5-pentylresorcinol; delta1(2)-trans-Cannabidiol; (-)-CBD; GWP42003-P; 19GBJ60SN5; CHEMBL190461; CHEBI:69478; 1,3-Benzenediol, 2-(3-methyl-6-(1-methylethenyl)-2-cyclohexen-1-yl)-5-pentyl-, (1R-trans)-; Resorcinol, 2-p-mentha-1,8-dien-3-yl-5-pentyl-, (-)-(E)-; 2-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-5-pentylbenzene-1,3-diol; 2-[1R-3-methyl-6R-(1-methylethenyl)-2-cyclohexen-1-yl]-5-pentyl-1,3-benzenediol; C21H30O2; 1,3-Benzenediol, 2-[3-methyl-6-(1-methylethenyl)-2-cyclohexen-1-yl]-5-pentyl-, (1R-trans)-; 2-((1R,6R)-6-Isopropenyl-3-methyl-cyclohex-2-enyl)-5-pentyl-benzene-1,3-diol; (1'R,2'R)-5'-methyl-4-pentyl-2'-(prop-1-en-2-yl)-1',2',3',4'-tetrahydrobiphenyl-2,6-diol; 3556-78-3; Cannabidiol [USAN]; 2-[(1R,6R)-3-Methyl-6-(1-methylethenyl)-2-cyclohexen-1-yl]-5-pentyl-1,3-benzenediol; (-)-Cannabidiol (CBD); cannabidiolum; Epidiolex (TN); P0T; Cannabidiol (7CI); Cannabidiol (USAN/INN); D1(2)-trans-Cannabidiol; SCHEMBL119679; GTPL4150; ZYN002; 2-(6-Isopropenyl-3-methyl-2-cyclohexen-1-yl)-5-pentyl-1,3-benzenediol #; 2-(6-Isopropenyl-3-methyl-cyclohex-2-enyl)-5-pentyl-benzene-1,3-diol; Delta(1(2))-trans-cannabidiol; DTXSID00871959; BTX-1503; GWP-42003-P; GWP42003; ZINC4097406; BDBM50121429; BDBM50318484; GWP-42003; AKOS032948358; DB09061; NCGC00386518-01; (-)-Cannabidiol 1.0 mg/ml in Methanol; DB-093531; Sativex (CBD + THC, fixed-doseoral spray); C07578; D10915; nabiximols (CBD + THC, fixed-doseoral spray); Q422917; (-)-Cannabidiol (CBD) 100 microg/mL in Methanol; (-)-Cannabidiol (CBD) 1000 microg/mL in Methanol; (3R,4R)-2-p-mentha-1,8-dien-3-yl-5-pentylresorcinol; Resorcinol, 2-p-mentha-1,8-dien-3-yl-5-pentyl-, (+-)-; UNII-K4H93P747O component QHMBSVQNZZTUGM-ZWKOTPCHSA-N; Resorcinol, 2-p-mentha-1,8-dien-3-yl-5-pentyl-, trans-(-)- (8CI); 1,3-Benzenediol, 2-(4-methyl-6-(1-methylethenyl)-2-cyclohexen-1-yl)-5-pentyl-, trans-; 1,3-benzenediol, 2-[(1R,6R)-3-methyl-6-(1-methylethenyl)-2-cyclohexen-1-yl]-5-pentyl-; 2-(3-methyl-6-prop-1-en-2-yl-1-cyclohex-2-enyl)-5-pentyl-benzene-1,3-diol; 2-(4-Methyl-6-(1-methylethenyl)-2-cyclohexen-1-yl)-5-pentyl-1,3-benzenediol trans-; 2-(6-Isopropenyl-3-methyl-cyclohex-2-enyl)-5-pentyl-benzene-1,3-diol (Cannabidiol); 2-[(1R,6R)-3-methyl-6-prop-1-en-2-yl-1-cyclohex-2-enyl]-5-pentylbenzene-1,3-diol; 2-[3-Methyl-6-(methylethenyl)-2-cyclohexen-1-yl]-5-pentyl-1,3-benzenediol; Cannabidiol solution, ~10 mg/mL in ethanol, analytical standard, for drug analysis; Cannabidiol solution, 1.0 mg/mL in methanol, ampule of 1 mL, certified reference material; Cannabidiol solution, 1.0 mg/mL in methanol, analytical standard, for drug analysis; (1'R,2'R)-5'-methyl-4-pentyl-2'-(prop-1-en-2-yl)-1',2',3',4'-tetrahydro-[1,1'-biphenyl]-2,6-diol; (1'R,2'R)-5'-methyl-4-pentyl-2'-(prop-1-en-2-yl)-1',2',3',4'-tetrahydro[1,1'-biphenyl]-2,6-diol
Clinical Status
Approved
PubChem CID
644019
Formula
C21H30O2
Canonical SMILES
CCCCCC1=CC(=C(C(=C1)O)[C@@H]2C=C(CC[C@H]2C(=C)C)C)O
InChI
1S/C21H30O2/c1-5-6-7-8-16-12-19(22)21(20(23)13-16)18-11-15(4)9-10-17(18)14(2)3/h11-13,17-18,22-23H,2,5-10H2,1,3-4H3/t17-,18+/m0/s1
InChIKey
QHMBSVQNZZTUGM-ZWKOTPCHSA-N
   Click to Show/Hide the Molecular Data (Structure/Property) of This API
Structure
<iframe style="width: 300px; height: 300px;" frameborder="0" src="https://embed.molview.org/v1/?mode=balls&cid=644019"></iframe>
3D MOL 2D MOL
Physicochemical Properties Molecular Weight 314.5 Topological Polar Surface Area 40.5
XlogP 6.5 Complexity 414
Heavy Atom Count 23 Rotatable Bond Count 6
Hydrogen Bond Donor Count 2 Hydrogen Bond Acceptor Count 2
Full List of Drug Formulations (DFMs) Containing This API
          Cannabidiol 1.938 g/100 ml spray Click to Show/Hide the Full List of Formulation(s):          1 Formulation(s)
             Drug Formulation 1 DFM Info click to show the detail info of this DFM
                   All DIGs    Click to Show/Hide the Full List of DIGs in This DFM
Water; Anhydrous Citric Acid; Glycerin; Potassium Sorbate; Rebaudioside A; Peppermint Oil; Polyoxyl 40 Castor Oil
                   Dosage Form Spray
                   Company Creative Essences
                   DIG(s) with
                   Biological Activity
DIG Name DIG Info Representative Biological Activity of This DIG REF
Kyselina citronova DIG Info Perilipin-1 (IC50 = 3708 nM) [1]
Levomenthol DIG Info Transient receptor potential p8 (EC50 = 10100 nM) [2]
Hydrogenated polyoxyl 40 castor oil DIG Info Cytochrome P450 2C9 (IC50 = 30 uM) [3]
          Cannabidiol 100 mg/ml solution Click to Show/Hide the Full List of Formulation(s):          1 Formulation(s)
             Drug Formulation 1 DFM Info click to show the detail info of this DFM
                   All DIGs    Click to Show/Hide the Full List of DIGs in This DFM
Dehydrated Alcohol; Sesame Seed Oil; Strawberry Flavor; Sucralose
                   Dosage Form Solution
                   Company Greenwich Biosciences
                   DIG(s) with
                   Biological Activity
DIG Name DIG Info Representative Biological Activity of This DIG REF
Sucralose DIG Info Carbonic anhydrase II (Ki = 300 nM) [4]
References
1 PubChem BioAssay data set.
2 Identification of a Novel TRPM8 Agonist from Nutmeg: A Promising Cooling Compound. ACS Med Chem Lett. 2017 May 31; 8(7):715-719.
3 Effects of non-ionic surfactants on cytochrome P450-mediated metabolism in vitro. Eur J Pharm Biopharm. 2011 May;78(1):166-72.
4 Sweet Binders: Carbonic Anhydrase IX in Complex with Sucralose. ACS Med Chem Lett. 2018 May 10; 9(7):657-661.

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