Details of the Active Pharmaceutical Ingredient (API)
General Information of API (ID: D00214) | |||||
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Name |
Doxercalciferol
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Synonyms |
Click to Show/Hide the Synonyms of This API
Doxercalciferol; 54573-75-0; Hectorol; 1alpha-Hydroxyergocalciferol; 1-Hydroxyergocalciferol; 1alpha-hydroxyvitamin D2; 1-alpha-Hydroxyvitamin D2; TSA 840; 1-Hydroxyvitamin D2; UNII-3DIZ9LF5Y9; 1alpha-OH-D2; 3DIZ9LF5Y9; 1-alpha-hydroxyergocalciferol; CHEBI:4712; (1S,3R,5Z,7E,22E)-9,10-Secoergosta-5,7,10,22-tetraene-1,3-diol; MFCD00871065; 1alpha-hydroxyvitamin D2 / 1alpha-hydroxyergocalciferol; (1R,3S,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol; (5Z,7E,22E)-(1S,3R)-9,10-seco-5,7,10(19),22-ergostatetraene-1,3-diol; Hectorol (TN); (1R,3S,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-7a-methyl-1-[(E,1R,4R)-1,4,5-trimethylhex-2-enyl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylene-cyclohexane-1,3-diol; 1alpha-OHD2; BRN 4716774; Doxercalciferol [USAN:INN]; Vitamin D2, 1alpha-Hydroxy-; Doxercalciferolum; NCGC00182058-03; 1alphaOHD2; PubChem18823; 1alpha-hydroxy vitamin D2; (5Z,7E,22E)-9,10-Secoergosta-5,7,10(19),22-tetraene-1alpha,3beta-diol; 1-alpha-hydroxy-vitamin D2; DSSTox_CID_14214; DSSTox_RID_79125; Doxercalciferol (USAN/INN); DSSTox_GSID_34214; (1R,3S,Z)-5-((E)-2-((1R,3aS,7aR)-1-((2R,5R,E)-5,6-dimethylhept-3-en-2-yl)-7a-methyldihydro-1H-inden-4(2H,5H,6H,7H,7aH)-ylidene)ethylidene)-4-methylenecyclohexane-1,3-diol; SCHEMBL322422; GTPL2790; CHEMBL1200810; DTXSID1034214; TSA-840; ACT06836; EX-A4428; ZINC4641374; Tox21_112978; HSCI1_000341; LMST03010028; AKOS005146517; CS-0395; DB06410; 9,10-Secoergosta-5,7,10(19),22-tetraene-1,3-diol, (1-alpha,3-beta,5Z,7E,22E)-; BS-17040; GZ427397; HY-32348; CAS-54573-75-0; C08211; D01009; W-5181; 42163-EP2298768A1; 42163-EP2311808A1; 42163-EP2311829A1; 573D750; Q5303688; Doxercalciferol, >=98% (HPLC), solubility: >10 mg/mL in DMSO; Doxercalciferol, United States Pharmacopeia (USP) Reference Standard; 9,10-Secoergosta-5,7,10(19),22-tetraene-1,3-diol, (1alpha,3beta,5Z,7E,22E)-; (1R,3S,5Z)-4-Methylene-5-[(2E)-2-[(1R,3aS,7aR)-octahydro-7?-methyl-1-[(1R,2E)-1,4,5-trimethyl-2-hexen-1-yl]-4H-inden-4-ylidene]ethylidene]-1,3-cyclohexanediol; (1R,3S,5Z)-4-Methylene-5-[(2E)-2-[(1R,3aS,7aR)-octahydro-7alpha-methyl-1-[(1R,2E)-1,4,5-trimethyl-2-hexen-1-yl]-4H-inden-4-ylidene]ethylidene]-1,3-cyclohexanediol
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Clinical Status |
Approved
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Disease Indication | Hyperparathyroidism | ICD-11: 5A51 | [1] | ||
PubChem CID | |||||
Formula |
C28H44O2
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Canonical SMILES |
C[C@H](/C=C/[C@H](C)C(C)C)[C@H]1CC[C@@H]\\2[C@@]1(CCC/C2=C\\C=C/3\\C[C@H](C[C@@H](C3=C)O)O)C
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InChI |
1S/C28H44O2/c1-18(2)19(3)9-10-20(4)25-13-14-26-22(8-7-15-28(25,26)6)11-12-23-16-24(29)17-27(30)21(23)5/h9-12,18-20,24-27,29-30H,5,7-8,13-17H2,1-4,6H3/b10-9+,22-11+,23-12-/t19-,20+,24+,25+,26-,27-,28+/m0/s1
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InChIKey |
HKXBNHCUPKIYDM-CGMHZMFXSA-N
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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=5281107"></iframe>
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3D MOL | 2D MOL | ||||
Physicochemical Properties | Molecular Weight | 412.6 | Topological Polar Surface Area | 40.5 | |
XlogP | 6.3 | Complexity | 712 | ||
Heavy Atom Count | 30 | Rotatable Bond Count | 5 | ||
Hydrogen Bond Donor Count | 2 | Hydrogen Bond Acceptor Count | 2 | ||
Full List of Drug Formulations (DFMs) Containing This API | ||||||
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Doxercalciferol 0.0005 mg capsule | Click to Show/Hide the Full List of Formulation(s): 3 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
D&c yellow no. 10; Fd&c red no. 40; Butyl alcohol; Isopropyl alcohol; Ammonia; Butylated hydroxyanisole; Ferrosoferric oxide; Glycerin; Propylene glycol; Titanium dioxide; Water; Medium-chain triglycerides; Alcohol; Gelatin; Shellac
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Dosage Form | Oral Capsule | |||||
Company | American Health Packaging | |||||
DIG(s) with Biological Activity | ||||||
DIG Name | DIG Info | Representative Biological Activity of This DIG | REF | |||
Allura red AC dye | DIG Info | Solute carrier SLCO2B1 (Ki = 4.7 uM) | [2] | |||
Quinoline yellow WS | DIG Info | Estrogen receptor alpha (IC50 = 18 uM) | [2] | |||
Allura red AC dye | DIG Info | Solute carrier SLCO2B1 (Ki = 2.59 uM) | [3] | |||
Isopropyl alcohol | DIG Info | Lymphoma P388/ADR cells (IC50 = 0.22 uM) | [4] | |||
Propylene glycol | DIG Info | Albendazole monooxygenase (Inhibition ratio < 20 %) | [5] | |||
Butylhydroxyanisole | DIG Info | Prostaglandin G/H synthase 2 (IC50 = 2.6 uM) | [2] | |||
Medium-chain triglyceride | DIG Info | Colon cancer Caco-2 cells (Inhibition ratio > 36 %) | [6] | |||
Drug Formulation 2 | 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
D&c yellow no. 10; Fd&c red no. 40; Butyl alcohol; Isopropyl alcohol; Ammonia; Butylated hydroxyanisole; Ferrosoferric oxide; Glycerin; Propylene glycol; Titanium dioxide; Water; Medium-chain triglycerides; Alcohol; Gelatin; Shellac
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Dosage Form | Oral Capsule | |||||
Company | West-Ward Pharmaceticals | |||||
DIG(s) with Biological Activity | ||||||
DIG Name | DIG Info | Representative Biological Activity of This DIG | REF | |||
Allura red AC dye | DIG Info | Solute carrier SLCO2B1 (Ki = 4.7 uM) | [2] | |||
Quinoline yellow WS | DIG Info | Estrogen receptor alpha (IC50 = 18 uM) | [2] | |||
Allura red AC dye | DIG Info | Solute carrier SLCO2B1 (Ki = 2.59 uM) | [3] | |||
Isopropyl alcohol | DIG Info | Lymphoma P388/ADR cells (IC50 = 0.22 uM) | [4] | |||
Propylene glycol | DIG Info | Albendazole monooxygenase (Inhibition ratio < 20 %) | [5] | |||
Butylhydroxyanisole | DIG Info | Prostaglandin G/H synthase 2 (IC50 = 2.6 uM) | [2] | |||
Medium-chain triglyceride | DIG Info | Colon cancer Caco-2 cells (Inhibition ratio > 36 %) | [6] | |||
Drug Formulation 3 | 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
Fd&c red no. 40; Butylated hydroxyanisole; Ferric oxide yellow; Glycerin; Titanium dioxide; Medium-chain triglycerides; Alcohol; Gelatin, unspecified
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Dosage Form | Oral Capsule | |||||
Company | Rising Pharmaceuticals; Winthrop | |||||
DIG(s) with Biological Activity | ||||||
DIG Name | DIG Info | Representative Biological Activity of This DIG | REF | |||
Allura red AC dye | DIG Info | Solute carrier SLCO2B1 (Ki = 4.7 uM) | [2] | |||
Allura red AC dye | DIG Info | Solute carrier SLCO2B1 (Ki = 2.59 uM) | [3] | |||
Butylhydroxyanisole | DIG Info | Prostaglandin G/H synthase 2 (IC50 = 2.6 uM) | [2] | |||
Medium-chain triglyceride | DIG Info | Colon cancer Caco-2 cells (Inhibition ratio > 36 %) | [6] | |||
Doxercalciferol 0.001 mg capsule | Click to Show/Hide the Full List of Formulation(s): 2 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
Butyl alcohol; Fd&c yellow no. 6; Isopropyl alcohol; Ammonia; Butylated hydroxyanisole; Ferrosoferric oxide; Glycerin; Propylene glycol; Titanium dioxide; Water; Medium-chain triglycerides; Alcohol; Gelatin; Shellac
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Dosage Form | Oral Capsule | |||||
Company | West-Ward Pharmaceticals | |||||
DIG(s) with Biological Activity | ||||||
DIG Name | DIG Info | Representative Biological Activity of This DIG | REF | |||
Sunset yellow FCF | DIG Info | Solute carrier SLCO2B1 (Ki = 68.4 uM) | [3] | |||
Isopropyl alcohol | DIG Info | Lymphoma P388/ADR cells (IC50 = 0.22 uM) | [4] | |||
Propylene glycol | DIG Info | Albendazole monooxygenase (Inhibition ratio < 20 %) | [5] | |||
Butylhydroxyanisole | DIG Info | Prostaglandin G/H synthase 2 (IC50 = 2.6 uM) | [2] | |||
Medium-chain triglyceride | DIG Info | Colon cancer Caco-2 cells (Inhibition ratio > 36 %) | [6] | |||
Drug Formulation 2 | 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
Fd&c yellow no. 6; Butylated hydroxyanisole; Glycerin; Titanium dioxide; Medium-chain triglycerides; Alcohol; Gelatin, unspecified
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Dosage Form | Oral Capsule | |||||
Company | Rising Pharmaceuticals; Winthrop | |||||
DIG(s) with Biological Activity | ||||||
DIG Name | DIG Info | Representative Biological Activity of This DIG | REF | |||
Sunset yellow FCF | DIG Info | Solute carrier SLCO2B1 (Ki = 68.4 uM) | [3] | |||
Butylhydroxyanisole | DIG Info | Prostaglandin G/H synthase 2 (IC50 = 2.6 uM) | [2] | |||
Medium-chain triglyceride | DIG Info | Colon cancer Caco-2 cells (Inhibition ratio > 36 %) | [6] | |||
Doxercalciferol 0.0025 mg capsule | Click to Show/Hide the Full List of Formulation(s): 2 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
D&c yellow no. 10; Butyl alcohol; Isopropyl alcohol; Ammonia; Butylated hydroxyanisole; Ferrosoferric oxide; Glycerin; Propylene glycol; Titanium dioxide; Water; Medium-chain triglycerides; Alcohol; Gelatin; Shellac
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Dosage Form | Oral Capsule | |||||
Company | West-Ward Pharmaceticals | |||||
DIG(s) with Biological Activity | ||||||
DIG Name | DIG Info | Representative Biological Activity of This DIG | REF | |||
Quinoline yellow WS | DIG Info | Estrogen receptor alpha (IC50 = 18 uM) | [2] | |||
Isopropyl alcohol | DIG Info | Lymphoma P388/ADR cells (IC50 = 0.22 uM) | [4] | |||
Propylene glycol | DIG Info | Albendazole monooxygenase (Inhibition ratio < 20 %) | [5] | |||
Butylhydroxyanisole | DIG Info | Prostaglandin G/H synthase 2 (IC50 = 2.6 uM) | [2] | |||
Medium-chain triglyceride | DIG Info | Colon cancer Caco-2 cells (Inhibition ratio > 36 %) | [6] | |||
Drug Formulation 2 | 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
Butylated hydroxyanisole; Ferric oxide yellow; Glycerin; Titanium dioxide; Medium-chain triglycerides; Alcohol; Gelatin, unspecified
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Dosage Form | Oral Capsule | |||||
Company | Rising Pharmaceuticals; Winthrop | |||||
DIG(s) with Biological Activity | ||||||
DIG Name | DIG Info | Representative Biological Activity of This DIG | REF | |||
Butylhydroxyanisole | DIG Info | Prostaglandin G/H synthase 2 (IC50 = 2.6 uM) | [2] | |||
Medium-chain triglyceride | DIG Info | Colon cancer Caco-2 cells (Inhibition ratio > 36 %) | [6] | |||
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