Details of the Active Pharmaceutical Ingredient (API)

General Information of API (ID: D01361)
Name
Procaine
Synonyms    Click to Show/Hide the Synonyms of This API
procaine; 59-46-1; Vitamin H3; Novocaine; Spinocaine; 2-(Diethylamino)ethyl 4-aminobenzoate; Duracaine; Procain; Nissocaine; Novocain; Procaine, base; Benzoic acid, 4-amino-, 2-(diethylamino)ethyl ester; Procaina; Procainum; 2-Diethylaminoethyl p-aminobenzoate; Diethylaminoethyl p-aminobenzoate; Norocaine; 2-Diethylaminoethyl 4-aminobenzoate; p-Aminobenzoyldiethylaminoethanol; p-Aminobenzoic acid 2-diethylaminoethyl ester; Allocaine; Scurocaine; 4-Aminobenzoic acid diethylaminoethyl ester; Benzoic acid, p-amino-, 2-(diethylamino)ethyl ester; NSC 169497; CHEBI:8430; beta-(Diethylamino)ethyl 4-aminobenzoate; beta-(Diethylamino)ethyl p-aminobenzoate; UNII-4Z8Y51M438; 2-Diethylaminoethylester kyseliny p-aminobenzoove; 2-(Diethylamino)ethyl p-aminobenzoate; 4-Aminobenzoic acid 2-diethylaminoethyl ester; Gerovital; 4-Amino-benzoic acid 2-diethylamino-ethyl ester; 4-aminobenzoic acid 2-(diethylamino)ethyl ester; SP-01; SP01A; MFCD00007893; NSC169497; 4Z8Y51M438; Factor H3; NSC-169497; SP-01A; Stoff H3; Jenacain; Jenacaine; .beta.-(Diethylamino)ethyl p-aminobenzoate; Procaine [INN:BAN]; Procainum [INN-Latin]; Procaina [INN-Spanish]; Gerovital H-3; Benzoic acid,4-amino-,2-(diethylamino)ethyl ester; MLS001304095; Anticort (TM); Procaine (INN); beta-Diethylaminoethyl 4-aminobenzoate; 2-(Diethylamino)ethyl-4-aminobenzoate; HSDB 3388; CAS-51-05-8; NCGC00015864-02; 4-Aminobenzoesaeure-beta-diethylaminoethylester; SMR000718771; EINECS 200-426-9; Solution of novocain (TN); BRN 0913480; novocaine;; 2-Diethylaminoethylester kyseliny p-aminobenzoove [Czech]; SP01; aminocaine;anadolor; Neocaine (Salt/Mix); Novocain (Salt/Mix); Allocaine (Salt/Mix); Novocaine (Salt/Mix); Sevicaine (Salt/Mix); Spectrum_000838; Aminocaine (Salt/Mix); Scurocaine (Salt/Mix); Neotonocaine (Salt/Mix); Prestwick0_000041; Prestwick1_000041; Prestwick2_000041; Prestwick3_000041; Spectrum2_001296; Spectrum3_000556; Spectrum4_000488; Spectrum5_001186; Lopac-P-9879; CHEMBL569; Epitope ID:115010; Gerovital H3 (Salt/Mix); cid_5795; SCHEMBL3524; SAMPL3, G2; Lopac0_000966; BSPBio_000161; BSPBio_002231; KBioGR_000975; KBioSS_001318; 4-14-00-01138 (Beilstein Handbook Reference); ARONIS24492; DivK1c_000120; SPBio_001331; SPBio_002082; WLN: ZR DVO2N2&2; BPBio1_000179; GTPL4291; DTXSID7045021; BDBM64452; KBio1_000120; KBio2_001318; KBio2_003886; KBio2_006454; KBio3_001731; NINDS_000120; HMS3885F16; EBD36851; HY-B0546; ZINC1530757; BBL005106; HTS001398; s4668; SBB066226; STK177303; AKOS000115407; 2-(diethylamino)ethyl 4-azanylbenzoate; CCG-205046; DB00721; DS-1216; MCULE-8861116126; SDCCGSBI-0050939.P005; IDI1_000120; .beta.-Diethylaminoethyl 4-aminobenzoate; NCGC00015864-01; NCGC00015864-03; NCGC00015864-04; NCGC00015864-18; NCGC00162298-01; AK-50386; ST024758; SY030284; SBI-0050939.P004; .beta.-(Diethylamino)ethyl 4-aminobenzoate; AB0031355; 2-(N,N-diethylamino)ethyl 4-amino-benzoate; AB00053531; FT-0654843; P1961; X4422; A16131; A19427; C07375; D08422; M-7441; 4-Amino-benzoic acid-beta-diethylaminoethylester; AB00053531-09; AB00053531_11; AB00053531_12; p-Aminobenzoic acid, 2-(diethylamino)ethyl ester; A832329; AE-641/00560024; Q423741; 2-(diethylamino)ethyl 4-azanylbenzoate;hydrochloride; Benzoic acid, 4-amino- 2-(diethylamino)ethyl ester; BRD-K24616672-003-05-2; BRD-K24616672-003-10-2; 4-aminobenzoic acid 2-(diethylamino)ethyl ester;hydrochloride; BENZOIC ACID,4-AMINO,2-DIETHYLAMINOETHYL ESTER PROCAIN BASE
Clinical Status
Approved
PubChem CID
4914
Formula
C13H20N2O2
Canonical SMILES
CCN(CC)CCOC(=O)C1=CC=C(C=C1)N
InChI
1S/C13H20N2O2/c1-3-15(4-2)9-10-17-13(16)11-5-7-12(14)8-6-11/h5-8H,3-4,9-10,14H2,1-2H3
InChIKey
MFDFERRIHVXMIY-UHFFFAOYSA-N
   Click to Show/Hide the Molecular Data (Structure/Property) of This API
Structure
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3D MOL is unavailable 2D MOL
Physicochemical Properties Molecular Weight 236.31 Topological Polar Surface Area 55.6
XlogP 1.9 Complexity 222
Heavy Atom Count 17 Rotatable Bond Count 7
Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 4
Full List of Drug Formulations (DFMs) Containing This API
          Procaine 300000 units/ml injectable 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
Sodium Citrate; Lecithin; Carboxymethylcellulose; Povidone; Methylparaben; Propylparaben
                   Dosage Form Injectable
                   Company King Pharmaceuticals
                   DIG(s) with
                   Biological Activity
DIG Name DIG Info Representative Biological Activity of This DIG REF
Sodium citrate anhydrous DIG Info Carbonic anhydrase IV (Ki = 99 nM) [1]
methylparaben DIG Info Carbonic anhydrase VII (Ki = 780 nM) [2]
Propylparaben sodium DIG Info Estrogen receptor alpha (EC50 = 38200 nM) [3]
Povidone DIG Info Cholesterol 25-hydroxylase (IC50 = 78.3 uM) [4]
Soybean lecithin DIG Info Albendazole monooxygenase (IC50 = 6.61 mg.mL-1) [5]
References
1 Carbonic anhydrase inhibitors. Interaction of isozymes I, II, IV, V, and IX with carboxylates. Bioorg Med Chem Lett. 2005 Feb 1; 15(3):573-8.
2 Mono-/dihydroxybenzoic acid esters and phenol pyridinium derivatives as inhibitors of the mammalian carbonic anhydrase isoforms I, II, VII, IX, XII and XIV. Bioorg Med Chem. 2013 Mar 15; 21(6):1564-9.
3 Discovery of natural estrogen receptor modulators with structure-based virtual screening. Bioorg Med Chem Lett. 2013 Jun 1; 23(11):3329-33.
4 Mediation of in vitro cytochrome p450 activity by common pharmaceutical excipients. Mol Pharm. 2013 Jul 1;10(7):2739-48.
5 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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