Mrv1718006281811242D          

 12 12  0  0  0  0            999 V2000
    0.0000    0.4125    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.7144    0.0000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.7144   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.2374    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.4125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7144    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7144   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -1.2374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  1  4  1  1  0  0  0
  7  1  1  0  0  0  0
  2  3  1  1  0  0  0
  5  2  1  0  0  0  0
  6  5  1  0  0  0  0
  8  7  1  0  0  0  0
  9  7  2  0  0  0  0
 10  8  2  0  0  0  0
 11  9  1  0  0  0  0
 12 10  1  0  0  0  0
 12 11  2  0  0  0  0
M  END
> <DATABASE_ID>
DB01364

> <DATABASE_NAME>
drugbank

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

> <INCHI_IDENTIFIER>
InChI=1S/C10H15NO/c1-8(11-2)10(12)9-6-4-3-5-7-9/h3-8,10-12H,1-2H3/t8-,10-/m0/s1

> <INCHI_KEY>
KWGRBVOPPLSCSI-WPRPVWTQSA-N

> <FORMULA>
C10H15NO

> <MOLECULAR_WEIGHT>
165.2322

> <EXACT_MASS>
165.115364107

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_ATOM_COUNT>
27

> <JCHEM_AVERAGE_POLARIZABILITY>
18.796313018057138

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
(1R,2S)-2-(methylamino)-1-phenylpropan-1-ol

> <ALOGPS_LOGP>
1.00

> <JCHEM_LOGP>
1.3178347283333334

> <ALOGPS_LOGS>
-1.30

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_PKA_STRONGEST_ACIDIC>
13.889531450472283

> <JCHEM_PKA_STRONGEST_BASIC>
9.524908674853327

> <JCHEM_POLAR_SURFACE_AREA>
32.26

> <JCHEM_REFRACTIVITY>
49.68730000000001

> <JCHEM_ROTATABLE_BOND_COUNT>
3

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
8.26e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
ephedrine

> <JCHEM_VEBER_RULE>
1

> <DRUGBANK_ID>
DB01364

> <DRUG_GROUPS>
approved

> <GENERIC_NAME>
Ephedrine

> <SYNONYMS>
(-)-Ephedrine; (1R,2S)-1-Phenyl-1-hydroxy-2-methylaminopropane; Efedrina; Ephedrine; L-Ephedrine; L-erythro-2-(Methylamino)-1-phenylpropan-1-ol; L(−)-ephedrine

> <PRODUCTS>
Akovaz; Balminil Nasal Ointment; Bronch Eze; Bronchial Asthma Relief; Broncho Dilate; Broncho Tuss Adult; Broncho Tuss Infant; Bronkaid Dual Action Formula; Bronkaid Max; ColdaeWon Cold A; ColdaeWon Cold A Syrup; ColdaeWon Cough A; ColdaeWon Cough A Syrup; Corphedra; Dymetadrine 25 - Tab; Emerphed; Ephed Asthma; Ephed Plus; Ephed Plus Liquid; Ephedrine; Ephedrine HCl; Ephedrine HCl - Tab 25mg; Ephedrine HCl 8 mg; Ephedrine Hydrochloride; Ephedrine Hydrochloride Tablets 25mg; Ephedrine Sulfate; Ephedrine Sulfate Injection USP; Ephedrine Sulfate Injection USP, 50mg/ml; Ephedrine Sulfate Injection, USP; Ephedrine Sulphate; Ephedrine Sulphate Injection, USP; Ephedrine Tab 15mg; Ephedrine Tab 30mg; Ephedrine V With Guaifenesin; Ephedrine sulfate; Formula C34 Tab .13mg; Formule G8 Liq 1.5%; Grippalin; HanPoong Beat Cold; HanPoong Gal Cheon Xin Extract Granules; Hemorro-dol Sup; I.D.M. Solution; Madame Pearl's Cough Syrup; Nasal Jelly Thuna's; Primatene; Red Label Ephed Plus; Red Label Ephedrine Plus; Rezipres; Rhino-vaccin; Rinosan MINT Nasal Decongestant; Rinosan Mint Nasal Decongestant; Rinosan PROPO Nasal Decongestant; Rinosan Propo Nasal Decongestant; Rynatuss; Sinuplex - Tab; Spinal Anesthesia Tray; T-drene 1; Tedral Tab; Ultra T-M - Tablet; Vasopro Ephedrine; Vicks Cough Syrup New Improved

> <INTERNATIONAL_BRANDS>
Rezipres

> <SALTS>
Ephedrine hydrochloride; Ephedrine sulfate; Ephedrine tannate

$$$$