Mrv1533004261507212D          

 19 19  0  0  0  0            999 V2000
   -5.0013    3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2868    3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724    3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579    3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    3.7125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    2.0625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
  6 11  1  0  0  0  0
  9 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
M  END
> <DATABASE_ID>
DB09085

> <DATABASE_NAME>
drugbank

> <SMILES>
CCCCNC1=CC=C(C=C1)C(=O)OCCN(C)C

> <INCHI_IDENTIFIER>
InChI=1S/C15H24N2O2/c1-4-5-10-16-14-8-6-13(7-9-14)15(18)19-12-11-17(2)3/h6-9,16H,4-5,10-12H2,1-3H3

> <INCHI_KEY>
GKCBAIGFKIBETG-UHFFFAOYSA-N

> <FORMULA>
C15H24N2O2

> <MOLECULAR_WEIGHT>
264.369

> <EXACT_MASS>
264.183778021

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_ATOM_COUNT>
43

> <JCHEM_AVERAGE_POLARIZABILITY>
31.903711609672246

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
2-(dimethylamino)ethyl 4-(butylamino)benzoate

> <ALOGPS_LOGP>
3.54

> <JCHEM_LOGP>
2.7920444443333325

> <ALOGPS_LOGS>
-2.68

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_PKA_STRONGEST_BASIC>
8.417555490390724

> <JCHEM_POLAR_SURFACE_AREA>
41.57

> <JCHEM_REFRACTIVITY>
80.16980000000001

> <JCHEM_ROTATABLE_BOND_COUNT>
9

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
5.55e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
tetracaine

> <JCHEM_VEBER_RULE>
0

> <DRUGBANK_ID>
DB09085

> <DRUG_GROUPS>
approved; vet_approved

> <GENERIC_NAME>
Tetracaine

> <SYNONYMS>
2-(dimethylamino)ethyl 4-(butylamino)benzoate; 2-(Dimethylamino)ethyl p-(butylamino)benzoate; Amethocaine; Amethocaine HCl; Diäthylaminoäthanol ester der p-butylaminobenzösäure; Dicaine; Medihaler-Tetracaine; Metraspray; p-(butylamino)benzoic acid β-(dimethylamino)ethyl ester ; p-Butylaminobenzoyl-2-dimethylaminoethanol; Tetracaína; Tétracaïne; Tetracaine; Tetracaine HCl

> <PRODUCTS>
Altacaine; Ametop Gel 4%; BLT Skin Cream; Benzocaine 20% / Lidocaine 10% / Tetracaine 10%; Blockaid; Blt 3; Blue Gel Anesthetic; Burn Cream; Burn Solution Cream; Cetacaine Anesthetic; Cetacaine Liquid; Cetacaine Spray; Cetacaine Topical Anesthetic; Comfortox Tetracaine; Cutiecaine; Denti-Care Denti-Freeze Topical Anesthetic Bubblegum; Denti-Care Denti-Freeze Topical Anesthetic Cherry; Denti-Care Denti-Freeze Topical Anesthetic Mint; Denti-Care Denti-Freeze Topical Anesthetic Raspberry; Denti-Care Denti-Freeze Topical Anesthetic Strawberry; Denti-care Topical Anesthetic Gel; Denti-care Topical Anesthetic Liquid Spray; Denticare Pro-freeze; Dermacaine-R; Eclipse Topical Analgesic LL; Endospray; Exactacain Topical Anesthetic; FranklyNumb 3; Henry Schein Topical Anesthetic Gel; Inderma MD; Kovanaze; Lidocaine 23% / Tetracaine 7%; Lidocaine 7% / Tetracaine 7%; Lidocaine and Tetracaine; Minims Tetracaine Hydrochloride; Ndc 72934- 5010-4 Benzocaine 20% / Lidocaine 8% / Tetracaine 4%.; NeuroMed LA; NeuroMed Topical Analgesic LA; Niphanoid; Numfast Tetracaine Green; One Touch Advanced Topical Anesthetic Bubble Gum; One Touch Advanced Topical Anesthetic Cherry; One Touch Advanced Topical Anesthetic Gel Cool Mint; One Touch Advanced Topical Anesthetic Strawberry Ice; One Touch Topical Anesthetic Gel; Pain Prescriptives Topical Analgesic LL; Painless Tattoo 3; Panocaine Gel; Penichillin; Pliaglis; Plush anesthetics T; Pontocaine; Pontocaine 5 mg/ml; Pontocaine Dps 0.5%; Pontocaine Pws Inj 20mg/amp; Pro Plus; Ritual Tattoo; Ritual Tattoo Reveal Foam; Sj3; Spinal Anaesthesia Tray; Spinal Anesthesia Tray; Super T; Supracaine Aem 754mg/65gm; Supracaine Aerosol 11.6mg/gm; Synera; T.R.U.E. Test Thin-Layer Rapid Use Patch Test; TetraVisc; TetraVisc Forte; Tetracaine; Tetracaine (Base); Tetracaine HCL; Tetracaine Hydrochloride; Tetracaine2; Tetragel Punch Topical Analgesic; Tetramex; Viractin Gel; Viractin Moisturizing Cream; Zap Liquid; Zap Topical Anesthetic Gel; Zap Topical Anesthetic Spray; Zap Topical Anesthetic Spray Aerosol; tetraVIV Advanced Cold Sore Care

> <INTERNATIONAL_BRANDS>
Pontocaine HCl

> <SALTS>
Tetracaine hydrochloride

$$$$