Details of the Active Pharmaceutical Ingredient (API)

General Information of API (ID: D01333)
Name
Pentobarbital
Synonyms    Click to Show/Hide the Synonyms of This API
pentobarbital; Pentobarbitone; Nembutal; Mebubarbital; Ethaminal; Mebumal; Pentobarbituric acid; Neodorm; Dorsital; Nebralin; Rivadorm; Pentobarbiturate; 76-74-4; Pentabarbitone; Neodorm (new); Pentabarbital; Pentobarbitalum; 5-Ethyl-5-(sec-pentyl)barbituric acid; 5-Ethyl-5-(1-methylbutyl)barbituric acid; 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-ethyl-5-(1-methylbutyl)-; 5-Ethyl-5-(1-methylbutyl)malonylurea; 5-Ethyl-5-(1-methylbutyl)-2,4,6(1H,3H,5H)-pyrimidinetrione; NSC 28708; Barbituric acid, 5-ethyl-5-(1-methylbutyl)-; 5-ethyl-5-(pentan-2-yl)pyrimidine-2,4,6(1H,3H,5H)-trione; CHEMBL448; 5-ethyl-5-pentan-2-yl-1,3-diazinane-2,4,6-trione; CHEBI:7983; Aethaminalum; NSC-28708; Nembutal (VAN); Neodorm (VAN); NCGC00096074-01; Pentobarbitale; Pentobarbital (VAN); Pentobarbitone (VAN); Pentobarbitale [DCIT]; 5-Ethyl-5-(1-methyl-butyl)-pyrimidine-2,4,6-trione; Pentobarbitalum [INN-Latin]; 5-ethyl-5-(pentan-2-yl)-1,3-diazinane-2,4,6-trione; Phetobarbitone; 5-ethyl-2-hydroxy-5-(1-methylbutyl)pyrimidine-4,6(1H,5H)-dione; Nembutal (TN); Ethyl-propylmethylcarbinylbarbituric acid; CCRIS 7089; HSDB 3151; EINECS 200-983-8; Pentobarbital (USP/INN); BRN 0087067; Barbituric acid, 5-ethyl-5-(2-pentyl)-; Pentobarbital [USP:INN:BAN]; SR-01000317092; Pentobarbital cii; (+-)-5-Ethyl-5-(1-methylbutyl)barbituric acid; (RS)-pentobarbital; Continal (Salt/Mix); (plusmn)-pentobarbital; Sedalixir (Salt/Mix); Spectrum_001783; Spectrum2_001991; Spectrum3_001783; Spectrum4_000574; Spectrum5_001705; DSSTox_CID_3435; EC 200-983-8; (.+/-.))-Pentobarbital; DSSTox_RID_77026; DSSTox_GSID_23435; Oprea1_143902; Oprea1_775730; SCHEMBL24966; BSPBio_003305; KBioGR_001008; KBioSS_002267; 5-24-09-00168 (Beilstein Handbook Reference); DivK1c_000992; SPECTRUM1900006; SPBio_002201; GTPL5480; DTXSID7023435; SCHEMBL11114711; component of Emesert (Salt/Mix); component of Synirin (Salt/Mix); HMS503G05; KBio1_000992; KBio2_002266; KBio2_004834; KBio2_007402; KBio3_002807; NINDS_000992; HMS2094E21; HMS3713B10; Pharmakon1600-01900006; NSC28708; Tox21_111555; BBL028072; BDBM50055935; CCG-39476; NSC760434; STL367899; Pentobarbital 0.1 mg/ml in Methanol; Pentobarbital 1.0 mg/ml in Methanol; 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-ethyl-5-(1-methylbutyl)-, (+-)-; AKOS000277861; WLN: T6VMVMV FHJ FY3&1 F2; CCG-220564; DB00312; NSC-760434; CAS-76-74-4; IDI1_000992; NCGC00096074-02; NCGC00344563-01; SBI-0052713.P002; DB-056119; C07422; D00499; 057P561; Nembutal; ; ; 5-Ethyl-5-(sec-pentyl)barbituric acid; Q409632; SR-05000001789; SR-01000317092-2; SR-05000001789-1; BRD-A44448661-001-01-4; 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-ethyl-5-sec-pentyl-; 2,6(1H,3H,5H)-Pyrimidinetrione, 5-ethyl-5-(1-methylbutyl)-; 5-Ethyl-5-(1-methylbutyl)-2,6(1H,3H,5H)-pyrimidinetrione; Pentobarbital, European Pharmacopoeia (EP) Reference Standard; Pentobarbital, United States Pharmacopeia (USP) Reference Standard; Pentobarbital solution, 1.0 mg/mL in methanol, ampule of 1 mL, certified reference material; 30849-50-4
Clinical Status
Approved
PubChem CID
4737
Formula
C11H18N2O3
Canonical SMILES
CCCC(C)C1(C(=O)NC(=O)NC1=O)CC
InChI
1S/C11H18N2O3/c1-4-6-7(3)11(5-2)8(14)12-10(16)13-9(11)15/h7H,4-6H2,1-3H3,(H2,12,13,14,15,16)
InChIKey
WEXRUCMBJFQVBZ-UHFFFAOYSA-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=4737"></iframe>
3D MOL is unavailable 2D MOL
Physicochemical Properties Molecular Weight 226.27 Topological Polar Surface Area 75.3
XlogP 2.1 Complexity 305
Heavy Atom Count 16 Rotatable Bond Count 4
Hydrogen Bond Donor Count 2 Hydrogen Bond Acceptor Count 3
Full List of Drug Formulations (DFMs) Containing This API
          Pentobarbital 50mg/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
Propylene Glycol; Alcohol; Water; Hydrochloric Acid; Sodium Hydroxide
                   Dosage Form Solution
                   Company Akorn ; Oak Pharmaceuticals
                   DIG(s) with
                   Biological Activity
DIG Name DIG Info Representative Biological Activity of This DIG REF
Hydrochloric acid DIG Info Carbonic anhydrase V (Ki = 156 nM) [1]
Propylene glycol DIG Info Albendazole monooxygenase (Inhibition ratio < 20 %) [2]
References
1 Carbonic anhydrase inhibitors. Inhibition of the newly isolated murine isozyme XIII with anions. Bioorg Med Chem Lett. 2004 Nov 1; 14(21):5435-9.
2 Pharmaceutical excipients inhibit cytochrome P450 activity in cell free systems and after systemic administration. Eur J Pharm Biopharm. 2008 Sep;70(1):279-88.

If you find any error in data or bug in web service, please kindly report it to Dr. Zhang and Dr. Mou.