Details of the Active Pharmaceutical Ingredient (API)

General Information of API (ID: D01531)
Name
Zalcitabine
Synonyms    Click to Show/Hide the Synonyms of This API
zalcitabine; 7481-89-2; 2',3'-DIDEOXYCYTIDINE; Dideoxycytidine; ddCyd; HIVID; Cytidine, 2',3'-dideoxy-; ddC; Zalcitibine; 4-Amino-1-((2R,5S)-5-(hydroxymethyl)tetrahydrofuran-2-yl)pyrimidin-2(1H)-one; Ro 24-2027/000; UNII-6L3XT8CB3I; MFCD00012188; CHEMBL853; 6L3XT8CB3I; 4-amino-1-[(2R,5S)-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyrimidin-2(1H)-one; CHEBI:10101; NCGC00090705-08; DSSTox_CID_3747; NSC-606170; 4-AMINO-1-[(2R,5S)-5-(HYDROXYMETHYL)OXOLAN-2-YL]-1,2-DIHYDROPYRIMIDIN-2-ONE; DSSTox_RID_77182; DSSTox_GSID_23747; NSC 606170; 2,3-dideoxycytidine; 2',3'-Dideoxycytidine, 98%; NSC606170; 4-amino-1-[(2R,5S)-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyrimidin-2-one; SMR000058253; CCRIS 692; Hivid(TM); Hivid (TN); HSDB 7156; Interferon AD + ddC; ddC & GM-CSF; ddC & sCD4; PC-SOD & ddC; Ro-24-2027/000; DDC (DDC); BRN 0654956; Zalcitabine (JAN/USP/INN); DS-4152 & ddC; 3-[(5S,2R)-5-(hydroxymethyl)oxolan-2-yl]-6-amino-3-hydropyrimidin-2-one; 1-(2,3-Dideoxy-beta-D-ribofuranosyl)cytosine; ddC & NP (from PHCA or HSA); SRI-7707; Zalcitabine [USAN:USP:INN:BAN]; CAS-7481-89-2; KS-1130; ddC & IFN.alpha.; .beta.-D-DDC; dideoxycytidine (DDC); 4-amino-1-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one; Prestwick0_001037; Prestwick1_001037; Prestwick2_001037; Prestwick3_001037; ddC & Interferon.alpha.; 2', 3'-dideoxycytidine; bmse000712; UPCMLD-DP115; D 5782; SCHEMBL3598; TimTec1_004969; Lopac0_000360; BSPBio_001253; 3'-Azido-3'-deoxythymidine/2',3'-Dideoxycytidine; 5-25-14-00313 (Beilstein Handbook Reference); MLS000069636; MLS000759540; MLS001055363; MLS001424210; MLS006011951; SPBio_003104; BPBio1_001378; GTPL4828; ddC; ; ; 2',3'-Dideoxycytidine; DTXSID0023747; UPCMLD-DP115:001; ZINC39906; 2',3'-Dideoxycytidine & sCD4(soluble recombinant protein); AOB5609; HMS1548B19; HMS1571O15; HMS2051H18; HMS2090C12; HMS2098O15; HMS2236N08; HMS3261G21; HMS3715O15; Pharmakon1600-01502360; .beta.-D-2',3'-Dideoxycytidine; Zalcitabine, 2'3'-Dideoxycytidine; BCP13878; Tox21_113491; Tox21_201655; Tox21_303169; Tox21_500360; AC-824; ANW-36530; BDBM50145605; Lecithinized superoxide dismutase & .beta.-D-2',3'-Dideoxycytidine; NSC759655; s1719; SBB066036; Sulfated polysaccharide-peptidoglycan DS-4152 & 2',3'-Dideoxycytidine; AKOS015854844; AKOS015894505; Tox21_113491_1; AB01085; CCG-101050; CS-1110; DB00943; LP00360; MCULE-6071296177; NC00300; NSC-759655; SDCCGSBI-0050348.P002; 2',3'-Dideoxycytidine & Nanoparticles (from human serum albumin or polyhexylcyanoacrylate); SRI-7707-13; SRI-7707-14; SRI-7707_15; SRI-7707_17; NCGC00090705-01; NCGC00090705-02; NCGC00090705-03; NCGC00090705-05; NCGC00090705-06; NCGC00090705-07; NCGC00090705-09; NCGC00090705-10; NCGC00090705-11; NCGC00090705-13; NCGC00090705-15; NCGC00090705-25; NCGC00179242-01; NCGC00257202-01; NCGC00259204-01; NCGC00261045-01; HY-17392; K278; ST069364; ddC;Dideoxycytidine;2',3'-Dideoxycytidine; 2',3'-Dideoxycytidine & Interferon.alpha.; 2',3'-Dideoxycytidine, >=98% (HPLC); AB0014137; DB-019728; Ro-242027000; D3581; EU-0100360; Ro-24-2027000; SW197364-4; 2',3'-Dideoxycytidine, >=99.0% (HPLC); C07207; D00412; M-2084; 42060-EP2295503A1; 42060-EP2298761A1; 42060-EP2305695A2; 42060-EP2305696A2; 42060-EP2305697A2; 42060-EP2305698A2; 42060-EP2311808A1; 42060-EP2311829A1; 78798-EP2298783A1; 78798-EP2305695A2; 78798-EP2305696A2; 78798-EP2305697A2; 78798-EP2305698A2; Cytidine, 2',3'-dideoxy- & Interferon.alpha.; 481D892; SR-01000075822; SR-01000736919; J-700276; Q-201941; Q2344582; SR-01000075822-1; SR-01000736919-5; Cytidine, 2',3'-dideoxy- & Colony-stimulating factor; Ro-242027000/Ro-24-2027-000; Z1550648753; Zalcitabine, United States Pharmacopeia (USP) Reference Standard; 4-Amino-1-(5-hydroxymethyl-tetrahydro-furan-2-yl)-1H-pyrimidin-2-one; .beta.-D-2',3'-Dideoxycytidine & Granulocyte-macrophage colony-stimulating factor
Clinical Status
Approved
PubChem CID
24066
Formula
C9H13N3O3
Canonical SMILES
C1C[C@@H](O[C@@H]1CO)N2C=CC(=NC2=O)N
InChI
1S/C9H13N3O3/c10-7-3-4-12(9(14)11-7)8-2-1-6(5-13)15-8/h3-4,6,8,13H,1-2,5H2,(H2,10,11,14)/t6-,8+/m0/s1
InChIKey
WREGKURFCTUGRC-POYBYMJQSA-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=24066"></iframe>
3D MOL is unavailable 2D MOL
Physicochemical Properties Molecular Weight 211.22 Topological Polar Surface Area 88.2
XlogP -1.3 Complexity 327
Heavy Atom Count 15 Rotatable Bond Count 2
Hydrogen Bond Donor Count 2 Hydrogen Bond Acceptor Count 3
Full List of Drug Formulations (DFMs) Containing This API
          Zalcitabine 0.375mg tablet 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
Lactose; Microcrystalline Cellulose; Croscarmellose Sodium; Magnesium Stearate; Hydroxypropyl Methylcellulose; Polyethylene Glycol; Polysorbate 80
                   Dosage Form Tablet
                   Company Roche
                   DIG(s) with
                   Biological Activity
DIG Name DIG Info Representative Biological Activity of This DIG REF
Hypromellose DIG Info Cytochrome P450 3A5 (IC50 = 19.4 uM) [1]
Polysorbate 80 DIG Info Prostaglandin G/H synthase 1 (IC50 = 1 uM) [2]
Magnesium stearate DIG Info Albendazole monooxygenase (Protein expression downregulation) [3]
Carmellose sodium DIG Info Albendazole monooxygenase (Protein expression upregulation) [3]
Polyethylene glycol 4000 DIG Info Albendazole monooxygenase (Inhibition ratio < 40 %) [4]
References
1 Mediation of in vitro cytochrome p450 activity by common pharmaceutical excipients. Mol Pharm. 2013 Jul 1;10(7):2739-48.
2 The activities of drug inactive ingredients on biological targets. Science. 2020 Jul 24;369(6502):403-413.
3 Effects of commonly used excipients on the expression of CYP3A4 in colon and liver cells. Pharm Res. 2010 Aug;27(8):1703-12.
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.

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