Details of the Active Pharmaceutical Ingredient (API)

General Information of API (ID: D01138)
Name
Halcinonide
Synonyms    Click to Show/Hide the Synonyms of This API
halcinonide; 3093-35-4; Halciderm; Halcimat; Halog; UNII-SI86V6QNEG; SI86V6QNEG; Halcort; Halcinonida; DSSTox_CID_25375; DSSTox_RID_80836; DSSTox_GSID_45375; SQ 18566; SQ-18,566; Betacorton; Halcinonidum; HALOG-E; Ascochrom; Volog; Pregn-4-ene-3,20-dione,21-chloro-9-fluoro-11-hydroxy-16,17-[(1-methylethylidene)bis(oxy)]-,(11b,16a)-; Halcinonidum [INN-Latin]; Halcinonida [INN-Spanish]; C24H32ClFO5; NCGC00016621-01; (11?,16?)-21-Chloro-9-fluoro-11-hydroxy-16,17-[(1-methylethylidene)bis(oxy)]-pregn-4-ene-3,20-dione; CAS-3093-35-4; EINECS 221-439-6; Prestwick_1069; Halog (TN); BRN 1358242; Halcinonide [USAN:USP:INN:BAN:JAN]; Prestwick0_000655; Prestwick1_000655; Prestwick2_000655; Prestwick3_000655; SCHEMBL4335; BSPBio_000689; 5-19-06-00301 (Beilstein Handbook Reference); MLS002153935; Halcinonide (JAN/USP/INN); SPBio_002610; BPBio1_000759; CHEMBL1200845; DTXSID6045375; CHEBI:31663; HMS1570C11; HMS2097C11; HMS2230O07; HMS3714C11; HY-B0877; ZINC4213474; Tox21_110530; s4098; AKOS015962797; Tox21_110530_1; AC-1114; AC-1774; CCG-220655; DB06786; N6-(Trifluoroacetyl)-L-lysyl-L-proline; NCGC00179475-01; NCGC00179475-03; 21-Chloro-9-fluoro-11beta,16alpha,17-trihydroxypregn-4-ene-3,20-dione cyclic 16,17-acetal with acetone; AS-74757; P753; Pregn-4-ene-3,20-dione, 21-chloro-9-fluoro-11-hydroxy-16,17-((1-methylethylidene)bis(oxy))-, (11beta,16alpha)-; SMR001233277; SO 18566; D01308; 093H354; Q425991; Q-201180; BRD-K81709173-001-03-8; Halcinonide, United States Pharmacopeia (USP) Reference Standard; (1S,2S,4R,8S,9S,11S,12R,13S)-8-(2-CHLOROACETYL)-12-FLUORO-11-HYDROXY-6,6,9,13-TETRAMETHYL-5,7-DIOXAPENTACYCLO[10.8.0.0(2),?.0?,?.0(1)(3),(1)?]ICOS-17-EN-16-ONE; (1S,2S,4R,8S,9S,11S,12R,13S)-8-(2-chloroacetyl)-12-fluoro-11-hydroxy-6,6,9,13-tetramethyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icos-17-en-16-one; (4aS,4bR,5S,6aS,6bS,9aR,10aS,10bS)-6b-(chloroacetyl)-4b-fluoro-5-hydroxy-4a,6a,8,8-tetramethyl-3,4,4a,4b,5,6,6a,6b,9a,10,10a,10b,11,12-tetradecahydro-2H-naphtho[2',1':4,5]indeno[1,2-d][1,3]dioxol-2-one; Pregn-4-ene-3,20-dione, 21-chloro-9-fluoro-11-beta,16-alpha,17-trihydroxy-, cyclic16,17-acetal with acetone
Clinical Status
Approved
PubChem CID
443943
Formula
C24H32ClFO5
Canonical SMILES
C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@]2([C@H](C[C@]4([C@H]3C[C@@H]5[C@]4(OC(O5)(C)C)C(=O)CCl)C)O)F
InChI
1S/C24H32ClFO5/c1-20(2)30-19-10-16-15-6-5-13-9-14(27)7-8-21(13,3)23(15,26)17(28)11-22(16,4)24(19,31-20)18(29)12-25/h9,15-17,19,28H,5-8,10-12H2,1-4H3/t15-,16-,17-,19+,21-,22-,23-,24+/m0/s1
InChIKey
MUQNGPZZQDCDFT-JNQJZLCISA-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=443943"></iframe>
3D MOL is unavailable 2D MOL
Physicochemical Properties Molecular Weight 455 Topological Polar Surface Area 72.8
XlogP 3.6 Complexity 887
Heavy Atom Count 31 Rotatable Bond Count 2
Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 6
Full List of Drug Formulations (DFMs) Containing This API
          Halcinonide 0.1% cream 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
Cetyl Alcohol; Dimethicone; Glyceryl Monostearate; Isopropyl Palmitate; Nitrogen; Polysorbate 60; Propylene Glycol; Water; Titanium Dioxide
                   Dosage Form Cream
                   Company Mylan Pharmaceuticals
                   DIG(s) with
                   Biological Activity
DIG Name DIG Info Representative Biological Activity of This DIG REF
Isopropyl palmitate DIG Info Acylsphingosine deacylase NAAA (IC50 = 19000 nM) [1]
Cetyl alcohol DIG Info Breast cancer FM3A cells (EC50 = 1600 nM) [2]
Glyceryl monostearate DIG Info Prostate cancer LNCaP cells (IC50 > 100000 nM) [3]
Propylene glycol DIG Info Albendazole monooxygenase (Inhibition ratio < 20 %) [4]
             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
Glyceryl Monostearate; Cetyl Alcohol; Isopropyl Palmitate; Dimethicone 350; Polysorbate 60; Titanium Dioxide; Propylene Glycol; Water
                   Dosage Form Cream
                   Company Sun Pharmaceutical Industries
                   DIG(s) with
                   Biological Activity
DIG Name DIG Info Representative Biological Activity of This DIG REF
Isopropyl palmitate DIG Info Acylsphingosine deacylase NAAA (IC50 = 19000 nM) [1]
Cetyl alcohol DIG Info Breast cancer FM3A cells (EC50 = 1600 nM) [2]
Glyceryl monostearate DIG Info Prostate cancer LNCaP cells (IC50 > 100000 nM) [3]
Propylene glycol DIG Info Albendazole monooxygenase (Inhibition ratio < 20 %) [4]
          Halcinonide 0.1% 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
Edetate Disodium; Polyethylene Glycol 300; Water; Butylated Hydroxytoluene
                   Dosage Form Solution
                   Company Sun Pharmaceutical Industries
                   DIG(s) with
                   Biological Activity
DIG Name DIG Info Representative Biological Activity of This DIG REF
Butylated hydroxytoluene DIG Info Carbonic anhydrase II (Ki = 630 nM) [5]
Polyethylene glycol 300 DIG Info Multidrug resistance protein 1 (Inhibition ratio = 54 %) [6]
References
1 The endocannabinoid system: drug targets, lead compounds, and potential therapeutic applications. J Med Chem. 2005 Aug 11; 48(16):5059-87.
2 Synthesis and notable antimalarial activity of acyclic peroxides, L-(alkyldioxy)-L-(methyldioxy)cyclododecanes. J Med Chem. 2002 Mar 14; 45(6):1374-8.
3 Lignanamides and nonalkaloidal components of Hyoscyamus niger seeds. J Nat Prod. 2002 Feb; 65(2):206-9.
4 Pharmaceutical excipients inhibit cytochrome P450 activity in cell free systems and after systemic administration. Eur J Pharm Biopharm. 2008 Sep;70(1):279-88.
5 Carbonic anhydrase inhibitors. Inhibition of human erythrocyte isozymes I and II with a series of antioxidant phenols. Bioorg Med Chem. 2009 Apr 15; 17(8):3207-11.
6 The effect of polyoxyethylene polymers on the transport of ranitidine in Caco-2 cell monolayers. Int J Pharm. 2011 May 16;409(1-2):164-8.

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