750
  Mrv0541 02231214582D          

 16 16  0  0  1  0            999 V2000
    4.5080   -0.6188    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5080    1.0313    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0791   -0.6188    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7935    0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5080    1.8563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2224    2.2688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7935   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0791    1.0313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0791   -1.4438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3645   -1.8563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2224    3.0938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7935   -1.8563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3645   -2.6813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500   -1.4438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7935   -2.6813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0791   -3.0938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  2  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  7  1  0  0  0  0
  3  9  1  0  0  0  0
  4  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  6  1  0  0  0  0
  6 11  1  0  0  0  0
  9 10  1  0  0  0  0
  9 12  2  0  0  0  0
 10 13  2  0  0  0  0
 10 14  1  0  0  0  0
 12 15  1  0  0  0  0
 13 16  1  0  0  0  0
 15 16  2  0  0  0  0
M  END
> <DATABASE_ID>
DB00750

> <DATABASE_NAME>
drugbank

> <SMILES>
CCCNC(C)C(=O)NC1=CC=CC=C1C

> <INCHI_IDENTIFIER>
InChI=1S/C13H20N2O/c1-4-9-14-11(3)13(16)15-12-8-6-5-7-10(12)2/h5-8,11,14H,4,9H2,1-3H3,(H,15,16)

> <INCHI_KEY>
MVFGUOIZUNYYSO-UHFFFAOYSA-N

> <FORMULA>
C13H20N2O

> <MOLECULAR_WEIGHT>
220.3107

> <EXACT_MASS>
220.157563272

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_ATOM_COUNT>
36

> <JCHEM_AVERAGE_NEUTRAL_MICROSPECIES_CHARGE>
0.984950674152741

> <JCHEM_AVERAGE_POLARIZABILITY>
25.976297247794356

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
N-(2-methylphenyl)-2-(propylamino)propanamide

> <ALOGPS_LOGP>
1.87

> <JCHEM_LOGP>
2.6809227156666666

> <ALOGPS_LOGS>
-2.83

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NEUTRAL_CHARGE>
1

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_PKA_STRONGEST_ACIDIC>
13.50908150554251

> <JCHEM_PKA_STRONGEST_BASIC>
8.815906516402368

> <JCHEM_POLAR_SURFACE_AREA>
41.13

> <JCHEM_REFRACTIVITY>
67.86300000000001

> <JCHEM_ROTATABLE_BOND_COUNT>
5

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
3.26e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
tetrahydrofolic acid

> <JCHEM_VEBER_RULE>
0

> <DRUGBANK_ID>
DB00750

> <SECONDARY_ACCESSION_NUMBERS>
APRD00180

> <DRUG_GROUPS>
approved

> <GENERIC_NAME>
Prilocaine

> <SYNONYMS>
2-(Propylamino)-o-propionotoluidide; 2-Methyl-alpha-propylaminopropionanilide; alpha-n-Propylamino-2-methylpropionanilide; N-(2-Methylphenyl)-2-(propylamino)propanamide; o-Methyl-2-propylaminopropionanilide; o-Methyl-alpha-propylaminopropionanilide; Prilocain; Prilocaina; Prilocaïne; Prilocaine; Prilocaine base; Prilocainum; Propitocaine

> <PRODUCTS>
4% Citanest Forte Dental With Epinephrine 1:200,000; 4% Citanest Plain Dental; ACAT SUK Kit (Accelerated COVID-19 Antibody Test Single Use Kit); ACT Kit (Accelerated COVID-19 Test Kit); AgonEaze; Anodyne LPT; Aprizio Pak; Aprizio Pak II; Cadira Compliant Blood Stat; Citanest Forte; Citanest Forte DENTAL; Citanest Plain; Cyclopak; Dentsply 4% Prilocaine Hydrochloride Dental Injection; Dentsply 4% Prilocaine and Epinephrine Injection 1:200,000; DermacinRx Cinlone-I CPI; DermacinRx Cinlone-II CPI; DermacinRx Empricaine; DermacinRx Empricaine II; DermacinRx Prikaan; DermacinRx Prizopak; Dibucaine HCl 0.5% / Lidocaine 15% / Phenylephrine HCl 1% / Prilocaine 5%; Dolotranz; EmReal; Emla; Emla Cream; Emla Patch; Fortacin; IV Infusion CPI; Inflammation Reduction Pack; LP Lite PAK; Leva Set with Occlusive Dressing; LiProZonePak; Lido Bdk; Lido-Prilo Caine Pack; Lidocaine 2.5% and Prilocaine 2.5% Cream; Lidocaine and Prilocaine; Lidocaine and Prilocaine Cream; Lidocaine-Prilocaine-Cream Base; Lidopril; Lidopril XR; Lidotor; Lipritin; Lipritin II; Livixil Pak; Medolor Pak Lidocaine and Prilocaine Cream Kit; Microvix L; Microvix LP; Nuvakaan; Nuvakaan II; Oraqix; PRILOVIX Lite; PRILOVIX Lite Plus; PRILOVIX Plus; PRILOVIX UltraLite; PRILOVIX Ultralite Plus; PRILOVIXIL Plus; PainGo KFT; Prikaan; Prikaan Lite; Prilo Patch; Prilo Patch-II; Prilocaine; Prilocaine HCl 4% Epineph 1:200000inj; Prilocaine Hydrochloride; Prilocaine Hydrochloride with Epinephrine; Priloheal Plus 30; Prilolid; Prilopentin; Prilopentin -II; Prilovix; Prilovixil; Priloxx LP External Kit; Prizopak II; Prizotral; Prizotral II; Realheal-I; Relador Pak Plus; Relador Pak with Occlusive Dressing; Senstend; SkyaDerm-LP; Truemed Group LLC; VallaDerm-90; Venipuncture CPI; Zyvodol

> <INTERNATIONAL_BRANDS>
Citanest; Prilotekal; Takipril; Xylonest

> <SALTS>
Prilocaine hydrochloride

$$$$