Mrv1909 02052014122D          

 18 19  0  0  0  0            999 V2000
   -0.3619   -0.2070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3680    0.2048    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0837   -0.2206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0843    1.0327    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0907    0.2149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3619   -1.0362    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8052    0.1863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0699   -1.0388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3571    1.4429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7892    1.4528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5004   -1.0457    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8093   -0.1905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7789   -1.4528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5127   -0.2246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8176    1.0342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3513   -1.4442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5078    1.0474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5127    0.2267    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
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  5  1  1  0  0  0  0
  6  1  2  0  0  0  0
  7  3  2  0  0  0  0
  8  3  1  0  0  0  0
  9  4  1  0  0  0  0
 10  4  1  0  0  0  0
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 12  5  1  0  0  0  0
 13  8  2  0  0  0  0
 14  7  1  0  0  0  0
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 16  8  1  0  0  0  0
 17 18  1  0  0  0  0
 18 12  1  0  0  0  0
 17 10  1  0  0  0  0
 14 11  2  0  0  0  0
M  END
> <DATABASE_ID>
DB00961

> <DATABASE_NAME>
drugbank

> <SMILES>
CN1CCCCC1C(=O)NC1=C(C)C=CC=C1C

> <INCHI_IDENTIFIER>
InChI=1S/C15H22N2O/c1-11-7-6-8-12(2)14(11)16-15(18)13-9-4-5-10-17(13)3/h6-8,13H,4-5,9-10H2,1-3H3,(H,16,18)

> <INCHI_KEY>
INWLQCZOYSRPNW-UHFFFAOYSA-N

> <FORMULA>
C15H22N2O

> <MOLECULAR_WEIGHT>
246.348

> <EXACT_MASS>
246.173213336

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_ATOM_COUNT>
40

> <JCHEM_AVERAGE_NEUTRAL_MICROSPECIES_CHARGE>
1.0000070054547774

> <JCHEM_AVERAGE_POLARIZABILITY>
28.607636461247033

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
N-(2,6-dimethylphenyl)-1-methylpiperidine-2-carboxamide

> <ALOGPS_LOGP>
2.16

> <JCHEM_LOGP>
3.191619869666667

> <ALOGPS_LOGS>
-2.60

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NEUTRAL_CHARGE>
1

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_PKA_STRONGEST_ACIDIC>
13.623901615091176

> <JCHEM_PKA_STRONGEST_BASIC>
7.253864226422996

> <JCHEM_POLAR_SURFACE_AREA>
32.34

> <JCHEM_REFRACTIVITY>
76.31970000000001

> <JCHEM_ROTATABLE_BOND_COUNT>
2

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
6.21e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
mepivacaine

> <JCHEM_VEBER_RULE>
1

> <DRUGBANK_ID>
DB00961

> <SECONDARY_ACCESSION_NUMBERS>
APRD01094

> <DRUG_GROUPS>
approved; vet_approved

> <GENERIC_NAME>
Mepivacaine

> <SYNONYMS>
(+-)-1-Methyl-2',6'-pipecoloxylidide; 1-methyl-2',6'-pipecoloxylidide; DL-Mepivacaine; Mepivacaina; Mepivacaine; Mepivacainum; N-(2,6-Dimethylphenyl)-1-methyl-2-piperidinecarboxamide; N-(2,6-Dimethylphenyl)-1-methylpiperidine-2-carboxamide

> <PRODUCTS>
2% Polocaine Dental With Levonordefrin 1:20,000; 3% Polocaine Dental; Carbocaine; Carbocaine 1%; Carbocaine 2%; Carbocaine 2% With Neo-cobefrin; Carbocaine 3%; Carbocaine Inj Liq 10mg/ml; Carbocaine Inj Liq 20mg/ml; Carbocaine Liq 1%; Carbocaine Liq 2%; Carbocaine with Neo-Cobefrin; IQ Dental Mepivacaine; Isocaine; Isocaine HCl Inj 2%; Isocaine HCl Inj 3%; Isocaine with Levonordefrin; Mepivacaine; Mepivacaine Hydrochloride; Mepivacaine Hydrochloride and Levonordefrin; Mepivacaine Hydrochloride with Levonordefrin; Mepivacaine With Levonordefrin; Mepivacaine with levonordefrin; Mepivicaine Hydrochloride Injection, USP 3%; POLOCAINE (MEPIVACAINE HCl); Pearson Mepivacaine; Polocaine; Polocaine with Levonordefrin; Polocaine(r) -mpf (mepivacaine Hci); Polocaine-MPF; Scandonest 2% L; Scandonest 2% Special Inj; Scandonest 2% With Levonordefrin; Scandonest 3% Plain; Scandonest 3% Plain Inj; Scandonest L; Scandonest Plain

> <INTERNATIONAL_BRANDS>
Scandicaine

> <SALTS>
Mepivacaine hydrochloride

$$$$