425
  Mrv0541 02231214402D          

 23 25  0  0  0  0            999 V2000
    3.4722    0.5743    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7935   -0.9052    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5741   -1.9816    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5358    1.5287    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5741   -0.6538    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0556   -1.3177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7935   -1.7302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8305    0.1304    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8806   -1.3177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0791   -0.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3645   -0.9052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0791   -2.1427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2795    0.7445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3645   -1.7302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2932   -2.0322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2932   -0.6033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500   -0.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5307   -1.3177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1182   -2.0322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1182   -0.6033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9848    2.1427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3431    1.6988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3557   -1.3177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  2  0  0  0  0
  2  5  1  0  0  0  0
  2  7  1  0  0  0  0
  2 10  1  0  0  0  0
  3  6  1  0  0  0  0
  3  7  2  0  0  0  0
  4 13  1  0  0  0  0
  4 21  1  0  0  0  0
  4 22  1  0  0  0  0
  5  6  2  0  0  0  0
  5  8  1  0  0  0  0
  6  9  1  0  0  0  0
  7 12  1  0  0  0  0
  8 13  1  0  0  0  0
  9 15  2  0  0  0  0
  9 16  1  0  0  0  0
 10 11  2  0  0  0  0
 11 14  1  0  0  0  0
 11 17  1  0  0  0  0
 12 14  2  0  0  0  0
 15 19  1  0  0  0  0
 16 20  2  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 18 23  1  0  0  0  0
M  END
> <DATABASE_ID>
DB00425

> <DATABASE_NAME>
drugbank

> <SMILES>
CN(C)C(=O)CC1=C(N=C2C=CC(C)=CN12)C1=CC=C(C)C=C1

> <INCHI_IDENTIFIER>
InChI=1S/C19H21N3O/c1-13-5-8-15(9-6-13)19-16(11-18(23)21(3)4)22-12-14(2)7-10-17(22)20-19/h5-10,12H,11H2,1-4H3

> <INCHI_KEY>
ZAFYATHCZYHLPB-UHFFFAOYSA-N

> <FORMULA>
C19H21N3O

> <MOLECULAR_WEIGHT>
307.3895

> <EXACT_MASS>
307.168462309

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_ATOM_COUNT>
44

> <JCHEM_AVERAGE_NEUTRAL_MICROSPECIES_CHARGE>
0.024036374164653967

> <JCHEM_AVERAGE_POLARIZABILITY>
35.06322364480099

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
N,N-dimethyl-2-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]acetamide

> <ALOGPS_LOGP>
3.15

> <JCHEM_LOGP>
3.0176268213333337

> <ALOGPS_LOGS>
-3.99

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NEUTRAL_CHARGE>
0

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
5.391435324686756

> <JCHEM_POLAR_SURFACE_AREA>
37.61000000000001

> <JCHEM_REFRACTIVITY>
93.58370000000001

> <JCHEM_ROTATABLE_BOND_COUNT>
3

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
3.13e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
biotin

> <JCHEM_VEBER_RULE>
1

> <DRUGBANK_ID>
DB00425

> <SECONDARY_ACCESSION_NUMBERS>
APRD00095

> <DRUG_GROUPS>
approved

> <GENERIC_NAME>
Zolpidem

> <SYNONYMS>
N,N,6-Trimethyl-2-(4-methylphenyl)imidazo(1,2-a)pyridine-3-acetamide; Zolpidem; Zolpidemum

> <PRODUCTS>
Ag-zolpidem ODT; Ambien; Ambien CR; Apo-zolpidem ODT; Edluar; Gabazolpidem-5; Intermezzo; Ivadal; Jamp Zolpidem ODT; Mint-zolpidem ODT; PMS-zolpidem ODT; Pro-zolpidem ODT; Sentrazolpidem PM-5; Sublinox; ZolpiMIST; Zolpidem; Zolpidem Tartrate; Zolpidem Tartrate ER; Zolpidem Tartrate Extended Release; Zolpidem Tartrate Extended-Release; Zolpidem Tartrate ODT; Zolpidem tartrate; Zolpidem tartrate sublingual; Zolpimist

> <INTERNATIONAL_BRANDS>
Adormix; Bikalm; Dormizol; Hypnogen; Ivedal; Nasen; Nimadorm; Nottem; Stilnoct; Stilnox; Stilnox CR; Zolsana; Zoltis

> <SALTS>
Zolpidem tartrate

$$$$