Details of the Active Pharmaceutical Ingredient (API)

General Information of API (ID: D00996)
Name
Deoxycholic acid
Synonyms    Click to Show/Hide the Synonyms of This API
DEOXYCHOLIC ACID; 83-44-3; deoxycholate; Desoxycholic acid; Cholerebic; Cholorebic; Choleic acid; Degalol; Deoxycholatic acid; Droxolan; Pyrochol; Septochol; Desoxycholsaeure; 7alpha-Deoxycholic acid; Cholic acid, deoxy-; Dihydroxycholanoic acid; ATX-101; 7-Deoxycholic acid; (3alpha,5beta,12alpha)-3,12-Dihydroxycholan-24-oic acid; 3alpha,12alpha-Dihydroxy-5beta-cholanic acid; 3,12-Dihydroxycholanic acid; Deoxy cholic acid; 3alpha,12alpha-Dihydroxy-5beta-cholan-24-oic acid; 5-beta-Deoxycholic acid; Desoxycholsaeure [German]; UNII-005990WHZZ; 3-Hydroxy-polydeoxycholic acid; 3alpha-Hydroxy-polydeoxycholate; NSC8797; NSC 8797; MFCD00003673; (R)-4-((3R,5R,8R,9S,10S,12S,13R,14S,17R)-3,12-dihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid; 7.alpha.-Deoxycholic acid; Kybella; CHEBI:28834; Cholan-24-oic acid, 3,12-dihydroxy-, (3alpha,5beta,12alpha)-; 005990WHZZ; 3-alpha,12-alpha-Dihydroxycholansaeure [German]; 3-alpha,12-alpha-Dihydroxy-5-beta-cholanoic acid; 5beta-Cholan-24-oic acid, 3alpha,12alpha-dihydroxy-; (4R)-4-[(3R,5R,8R,9S,10S,12S,13R,14S,17R)-3,12-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid; 3-alpha,12-alpha-Dihydroxy-5-beta-cholan-24-oic acid; Cholan-24-oic acid, 3,12-dihydroxy-, (3a,5b,12a)-; Cholan-24-oic, 3,12-dihydroxy-(3alpha,5beta,12alpha)-; 3,12-Dihydroxycholan-24-oic acid, (3alpha,5beta,12alpha)-; 3.alpha.,12.alpha.-Dihydroxycholanic acid; 17-beta-(1-Methyl-3-carboxypropyl)-etiocholane-3-alpha,12-alpha-diol; l7-beta-(1-Methyl-3-carboxypropyl)-etiocholane-3-alpha,12-alpha-diol; Deoxycholic acid, 98.5%; 3alpha,12alpha-Dihydroxy-5beta-cholanate; 3.alpha.,12.alpha.-Dihydroxy-5.beta.-cholanic acid; 3.alpha.,12.alpha.-Dihydroxy-5.beta.-cholanoic acid; 3.alpha.,12.alpha.-Dihydroxy-5.beta.-cholan-24-oic acid; 5-beta-Cholan-24-oic acid, 3-alpha,12-alpha-dihydroxy-; NSC-8797; 17.beta.-(1-Methyl-3-carboxypropyl)-etiocholane-3.alpha.,12.alpha.-diol; Cholan-24-oic acid, 3,12-dihydroxy-, (3alpha,5beta,12alpha)-, homopolymer; ATX 101; DXC; SMR000112166; Desoxycholic acid [NF]; Deoxycholatate; de-oxycholate; deoxy-Cholate; Deoxycholic acid [USAN:INN]; deoxycholic-acid; ATX101; CCRIS 1627; HSDB 293; 5b-Deoxycholate; 3alpha; 7-Deoxycholate; deoxy-Cholic acid; EINECS 201-478-5; Kybella (TN); 5b-Deoxycholic acid; 7-Desoxycholic acid; 3-alpha,12-alpha-Dihydroxycholansaeure; BRN 3219882; 1e3v; Spectrum5_002007; bmse000833; SCHEMBL4300; Deoxycholic acid (NF/INN); BIDD:PXR0198; GTPL610; 115349-14-9; 4-10-00-01608 (Beilstein Handbook Reference); MLS001066423; MLS001306460; CHEMBL406393; DWJ211; 5b-Cholanic acid-3a,12a-diol; DTXSID0042662; DWJ-211; HMS2270H22; HY-N0593; ZINC3914810; Deoxycholic acid, >=98% (HPLC); BBL013877; BDBM50375599; Deoxycholic acid, >=99.0% (T); LMST04010040; s4689; SBB058040; STK801948; AKOS005622617; CCG-268565; CS-7613; DB03619; MCULE-2553099876; AS-13233; BP-13275; H681; NCI60_041946; 3-.alpha.,12-.alpha.-Dihydroxycholansaeure; Deoxycholic acid, BioXtra, >=98% (HPLC); C04483; D10781; W-3065; 25793-EP2289879A1; 25793-EP2295401A2; 25793-EP2315303A1; Q425680; SR-01000765601; 5.beta.-Cholan-24-oic acid,12.alpha.-dihydroxy-; SR-01000765601-2; 3I+/-,12I+/--Dihydroxy-5I(2)-cholansA currencyure; Z1945707492; UNII-JIY1ILR284 component KXGVEGMKQFWNSR-LLQZFEROSA-N; 5.beta.-Cholan-24-oic acid, 3.alpha.,12.alpha.-dihydroxy-; 5beta-Cholan-24-oic acid, 3alpha,12alpha-dihydroxy- (8CI); 3,12-Dihydroxycholan-24-oic acid, (3.alpha.,5.beta.,12.alpha.)- #; Cholan-24-oic acid, 3,12-dihydroxy-, (3-alpha,5-beta,12-alpha)-; Cholan-24-oic acid, 3,12-dihydroxy-, (3-alpha,5-beta,12-alpha)- (9CI); Cholan-24-oic acid,12-dihydroxy-, (3.alpha.,5.beta.,12.alpha.)-; Deoxycholic acid, 500 mug/mL in methanol, certified reference material; (3alpha,5alpha,8alpha,12alpha,14beta,17alpha)-3,12-dihydroxycholan-24-oic acid; Cholan-24-oic acid, 3,12-dihydroxy-, (3-.alpha., 5-.beta.,12-.alpha.)-; Deoxycholic Acid (Desoxycholic Acid), United States Pharmacopeia (USP) Reference Standard; l7-.beta.-(1-Methyl-3-carboxypropyl)-etiocholane-3-.alpha.,12-.alpha.-diol; (4R)-4-((1S,2S,11S,16S,5R,7R,10R,14R,15R)-5,16-dihydroxy-2,15-dimethyltetracyc lo[8.7.0.0<2,7>.0<11,15>]heptadec-14-yl)pentanoic acid; (4R)-4-((3R,8R,9S,10S,12S,13R,14S,17R)-3,12-dihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid; (4R)-4-[(1S,2S,5R,7R,10R,11S,14R,15R,16S)-5,16-dihydroxy-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecan-14-yl]pentanoic acid
Clinical Status
Approved
PubChem CID
222528
Formula
C24H40O4
Canonical SMILES
C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C
InChI
1S/C24H40O4/c1-14(4-9-22(27)28)18-7-8-19-17-6-5-15-12-16(25)10-11-23(15,2)20(17)13-21(26)24(18,19)3/h14-21,25-26H,4-13H2,1-3H3,(H,27,28)/t14-,15-,16-,17+,18-,19+,20+,21+,23+,24-/m1/s1
InChIKey
KXGVEGMKQFWNSR-LLQZFEROSA-N
   Click to Show/Hide the Molecular Data (Structure/Property) of This API
Structure
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3D MOL 2D MOL
Physicochemical Properties Molecular Weight 392.6 Topological Polar Surface Area 77.8
XlogP 4.9 Complexity 605
Heavy Atom Count 28 Rotatable Bond Count 4
Hydrogen Bond Donor Count 3 Hydrogen Bond Acceptor Count 4
Full List of Drug Formulations (DFMs) Containing This API
          Deoxycholic Acid 20mg/2ml 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
Benzyl Alcohol; Dibasic Sodium Phosphate; Sodium Chloride; Sodium Hydroxide In Water For Injection, Usp
                   Dosage Form Solution
                   Company Kythera Biopharms
                   DIG(s) with
                   Biological Activity
DIG Name DIG Info Representative Biological Activity of This DIG REF
Benzyl alcohol DIG Info Indoleamine 2,3-dioxygenase 1 (IC50 = 1400 nM) [1]
References
1 O-alkylhydroxylamines as rationally-designed mechanism-based inhibitors of indoleamine 2,3-dioxygenase-1. Eur J Med Chem. 2016 Jan 27; 108:564-576.

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