Mrv1572004221604422D          

 18 17  0  0  0  0            999 V2000
    0.9546    1.5702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1079    0.8558    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9974    2.9183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7119    1.6808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5421    0.8558    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4315   -2.8567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1460   -2.4442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2829   -2.4442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1460   -1.6192    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2829   -1.6192    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2829    1.6808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4315   -1.2067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4315   -0.3817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2829    0.8558    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9974    2.0933    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1460    0.0308    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2829    0.0308    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1496    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  5  1  1  0  0  0  0
  7  6  2  0  0  0  0
  8  6  1  0  0  0  0
  9  7  1  0  0  0  0
 10  8  2  0  0  0  0
 12  9  2  0  0  0  0
 12 10  1  0  0  0  0
 13 12  1  0  0  0  0
 14  2  1  0  0  0  0
 14  5  1  0  0  0  0
 14 11  1  0  0  0  0
 15  3  1  0  0  0  0
 15  4  1  0  0  0  0
 15 11  1  0  0  0  0
 16 13  2  0  0  0  0
 17 13  1  0  0  0  0
 17 14  1  0  0  0  0
M  END
> <DATABASE_ID>
DBSALT001127

> <DATABASE_NAME>
drugbank

> <SMILES>
Cl.CCC(C)(CN(C)C)OC(=O)C1=CC=CC=C1

> <INCHI_IDENTIFIER>
InChI=1S/C14H21NO2.ClH/c1-5-14(2,11-15(3)4)17-13(16)12-9-7-6-8-10-12;/h6-10H,5,11H2,1-4H3;1H

> <INCHI_KEY>
YCAXNWFCHTZUMD-UHFFFAOYSA-N

> <FORMULA>
C14H22ClNO2

> <MOLECULAR_WEIGHT>
271.79

> <EXACT_MASS>
271.1339067

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_ATOM_COUNT>
40

> <JCHEM_AVERAGE_POLARIZABILITY>
26.840241412943833

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
1-(dimethylamino)-2-methylbutan-2-yl benzoate hydrochloride

> <ALOGPS_LOGP>
2.73

> <JCHEM_LOGP>
3.215041390333333

> <ALOGPS_LOGS>
-2.34

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_PKA_STRONGEST_BASIC>
8.909710297659007

> <JCHEM_POLAR_SURFACE_AREA>
29.540000000000003

> <JCHEM_REFRACTIVITY>
69.6834

> <JCHEM_ROTATABLE_BOND_COUNT>
6

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.06e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
stovaine hydrochloride

> <JCHEM_VEBER_RULE>
1

> <DRUGBANK_ID>
DBSALT001127

> <NAME>
Amylocaine hydrochloride

> <DRUG_DRUGBANK_ID>
DB09088

> <DRUG_NAME>
Amylocaine

> <CAS_NUMBER>
532-59-2

> <UNII>
224EF0K14Q

$$$$