668
  Mrv0541 02231214552D          

 13 13  0  0  1  0            999 V2000
    2.8075    1.3654    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0930   -1.5222    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5220   -2.3472    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2365    2.1904    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5220    0.9529    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.5220    0.1279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2365    1.3654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8075   -0.2846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2365   -0.2846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8075   -1.1096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2365   -1.1096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5220   -1.5222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9509    2.6029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  5  1  1  1  0  0  0
  2 10  1  0  0  0  0
  3 12  1  0  0  0  0
  4  7  1  0  0  0  0
  4 13  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  6  8  2  0  0  0  0
  6  9  1  0  0  0  0
  8 10  1  0  0  0  0
  9 11  2  0  0  0  0
 10 12  2  0  0  0  0
 11 12  1  0  0  0  0
M  END
> <DATABASE_ID>
DB00668

> <DATABASE_NAME>
drugbank

> <SMILES>
CNC[C@H](O)C1=CC(O)=C(O)C=C1

> <INCHI_IDENTIFIER>
InChI=1S/C9H13NO3/c1-10-5-9(13)6-2-3-7(11)8(12)4-6/h2-4,9-13H,5H2,1H3/t9-/m0/s1

> <INCHI_KEY>
UCTWMZQNUQWSLP-VIFPVBQESA-N

> <FORMULA>
C9H13NO3

> <MOLECULAR_WEIGHT>
183.2044

> <EXACT_MASS>
183.089543287

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_ATOM_COUNT>
26

> <JCHEM_AVERAGE_NEUTRAL_MICROSPECIES_CHARGE>
0.9836706984334503

> <JCHEM_AVERAGE_POLARIZABILITY>
19.035703709071257

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
4

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
4-[(1R)-1-hydroxy-2-(methylamino)ethyl]benzene-1,2-diol

> <ALOGPS_LOGP>
-0.82

> <JCHEM_LOGP>
-0.42952928501713206

> <ALOGPS_LOGS>
-0.99

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NEUTRAL_CHARGE>
1

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_PKA>
12.652804138341846

> <JCHEM_PKA_STRONGEST_ACIDIC>
9.694259402931468

> <JCHEM_PKA_STRONGEST_BASIC>
8.912171883219303

> <JCHEM_POLAR_SURFACE_AREA>
72.72

> <JCHEM_REFRACTIVITY>
49.2303

> <JCHEM_ROTATABLE_BOND_COUNT>
3

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.86e+01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
biotin

> <JCHEM_VEBER_RULE>
0

> <DRUGBANK_ID>
DB00668

> <SECONDARY_ACCESSION_NUMBERS>
APRD00450; EXPT00496

> <DRUG_GROUPS>
approved; vet_approved

> <GENERIC_NAME>
Epinephrine

> <SYNONYMS>
(−)-(R)-epinephrine; (−)-3,4-dihydroxy-α-((methylamino)methyl)benzyl alcohol; (−)-adrenaline; (R)-(-)-Adnephrine; (R)-(-)-Adrenaline; (R)-(-)-Epinephrine; (R)-(-)-Epirenamine; (R)-(−)-adrenaline; 4-[(1R)-1-Hydroxy-2-(methylamino)ethyl]-1,2-benzenediol; Adrenaline; Adrénaline; Epinefrin; Epinefrina; Epinephrin; Epinephrine; Epinephrinum; L-Adrenaline; Levoepinephrine

> <PRODUCTS>
2% Lidocaine and Epinephrine 1:100,000 Injection USP; 4% Astracaine Dental With Epinephrine 1:200,000 (0.005mg/ml); 4% Astracaine Dental With Epinephrine Forte 1:100,000 (0.01mg/ml); 4% Citanest Forte Dental With Epinephrine 1:200,000; Adrenaclick; Adrenaclick 0.15mg Auto-injector; Adrenaclick 0.30mg Auto-injector; Adrenalin; Adrenalin (epinephrine); Adrenalin Topical Solution; Adrenalin(r); Adyphren Amp II Kit; Adyphren Amp Kit; Adyphren II Kit; Adyphren Kit; Allerject; Ana-kit; Ana-kit (2mg/tab Orl, 1mg/ml Liq Sc Im); Anakit Insect Sting Treatment Kit; Anapen; Anapen Junior; Articadent; Articaine; Articaine HCl and Epinephrine; Articaine Hydrochloride and Epinephrine; Articaine Hydrochloride and Epinephrine Bitartrate Injection; Auvi-Q; Basic Dental Emergency Kit; Blue Gel Anesthetic; Bronkaid Mistometer Aem 0.5%; Bupivacaine HCl 0.5% and Epinephrine 1:200,000 Injection; Bupivacaine Hci and Epinephrine; Bupivacaine Hydrochloride and Epinephrine; Bupivacaine Hydrochloride with Epinephrine; CLIN-LIDO-Single Use Kit; Certa Dose Epinephrine Convenience Kit; Citanest Forte; Citanest Forte DENTAL; Crown-pak Max 4-ply; D-Care 100X; Deluxe Dental Emergency Kit; Dentsply 2% Lidocaine With Epinephrine 1:100,000; Dentsply 2% Lidocaine With Epinephrine 1:50,000; Dentsply 4% Prilocaine and Epinephrine Injection 1:200,000; Dysne Inhal; E-pilo 1 Ophthalmic Solution; E-pilo 2 Ophthalmic Solution; E-pilo 4 Ophthalmic Solution; E-pilo 6 Ophthalmic Solution; E-pilo-1 Oph Soln; E-pilo-2 Oph Soln; E-pilo-4 Oph Soln; E-pilo-6 Oph Soln; EPIsnap Epinephrine Convenience Kit; EPY II Kit; EPY Kit; Emerade; Ephinephrine; Epi E-Z Pen - Liquid - 0.3mg/0.3ml; EpiPen; EpiPen Jr; Epinephrine; Epinephrine 1:1000 Inj 1mg/ml USP; Epinephrine Chloride Solution; Epinephrine Convenience Kit; Epinephrine Inj 0.1mg/ml USP; Epinephrine Injection; Epinephrine Injection USP; Epinephrine Injection USP 1 mg/ml; Epinephrine Professional; Epinephrine Professional EMS; EpinephrineSnap-EMS; EpinephrineSnap-V; Epinephrinesnap-V; Epipen; Epipen Jr; Gingi Pak Cord No 1; Gingi-pak Cotton Coil; Gingi-pak Max 2-ply; Gingi-pak Max Soft-twist No 1; Gingi-pak Max Soft-twist No 2; Gingi-pak Max Soft-twist No 3; Gingi-pak Max Z-twist No 00; Gingi-pak Max Z-twist No 1; Gingi-pak Max Z-twist No 2; Gingi-pak Max Z-twist No 3; Gingi-pak Pellets; LIDOCAINE HCl; LIDOCAINE HCl AND EPI; LIDOCAINE HCl AND EPINEPHRINE; LIDOCAINE HCl and EPINEPHRINE; Leep RediKit; Lidocaine; Lidocaine 2% and Epinephrine 1:100 000; Lidocaine 2% and Epinephrine 1:100,000; Lidocaine 2% and Epinephrine 1:50 000; Lidocaine 2% and Epinephrine 1:50,000; Lidocaine Hci; Lidocaine Hci and Epinephrine; Lidocaine Hci and Epinephrine With Epinephrine; Lidocaine Hydrochloride 0.5% and Epinephrine 1:200000 Injection USP; Lidocaine Hydrochloride 1.5% and Epinephrine 1:200000 Injection USP; Lidocaine Hydrochloride 1.5% and Epinephrine 1:200000 Injection USP Test Dose; Lidocaine Hydrochloride and Epinephrine; Lidocaine Hydrochloride and Epinephrine Bitartrate; Lidocaine Hydrochloride and Epinephrine Injection USP; Lidocaine and Epinephrine Inj.usp 2% 1:100000; Lidosite; Lignospan Forte; Lignospan Speciale Inj; Lignospan Standard; Lixtraxen 1%; Marcaine; Marcaine 0.5% and Epinephrine 1:200,000 Liq; Marcaine E; Marcaine E 0.25% Liq Prt; Marcaine E Liq Prt 0.50%; Marcaine With Epinephrine; Marcaine with Epinephrine; Medihaler-Epi; Minnerva II; Numbing Hemorrhoidal Label; Numquick Analgesic; Numquick Topical Analgesic; Octocaine 100; Octocaine 100 Needleject Inj; Octocaine 50; Octocaine HCl 2% Epinephrine 1:100000; Octocaine HCl 2% Epinephrine 1:50000; Orabloc; Orabloc 1:100,000; Orabloc 1:200,000; Orostat 8%; Posicaine N; Posicaine Sp; Prilocaine HCl 4% Epineph 1:200000inj; Prilocaine Hydrochloride with Epinephrine; Primatene Mist; Primatene Mist Refill; Prime Asthma Relief; Pro Numb; QKit Procedure Tray; SENSORCAINE MPF with Epinephrine; Scandonest 2% Special Inj; Sensorcaine; Sensorcaine Forte; Sensorcaine Mpf; Sensorcaine With Epinephrine; Sensorcaine(r) (bupivacaine Hci and Epinephrine); Septanest N; Septanest Sp; Septocaine; Septocaine and Epinephrine; Spinal Anaesthesia Tray; Spinal Anesthesia Tray; Symjepi; Taro-epinephrine Auto-injector; Taroclick Epinephrine; Taroclick Epinephrine Junior; The Solution; The Solution Anorectal Spray Temporary Pain Relief; Twinject; Twinject 0.15mg Auto-injector; Twinject 0.3mg Auto-injector; Ultacan; Ultacan Forte; Ultracaine D-S Forte Injection; Ultracaine D-S Injection; Ultracaine DS Forte Inj; Ultracaine DS Inj; Vasocaine; Vivacaine; Xylocaine; Xylocaine 0.5% W Epinephrine 1:100000; Xylocaine 0.5% W Epinephrine 1:200000; Xylocaine 1% W Epinephrine 1:100000; Xylocaine 1% W Epinephrine 1:200000; Xylocaine 1.5% W Epinephrine 1:200000; Xylocaine 1.5% W Epinephrine 1:200000 Test Dose; Xylocaine 2% W Epinephrine 1:100000; Xylocaine 2% W Epinephrine 1:200000; Xylocaine 2% With Epinephrine 1:200000; Xylocaine Dental Lidocaine HCl 2% and Epinephrine 1:100,000; Xylocaine Dental Lidocaine Hydrochloride 2% and Epinephrine 1:50,000; Xylocaine MPF; Xylocaine Mpf 1.5% With Epinephrine; Xylocaine with epinephrine; Xylocaine(r) -mpf (lidocaine Hci and Epinephrine); Xylocaine-mpf With Epi; Zone 2; Zorcaine

> <INTERNATIONAL_BRANDS>
Epi EZ Pen JR

> <SALTS>
Epinephrine acetate; Epinephrine bitartrate; Epinephrine hydrochloride

$$$$