956
  Mrv0541 02231215082D          

 25 29  0  0  1  0            999 V2000
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    1.7349   -2.5175    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7349    1.6501    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3440   -1.2588    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2006   -0.8462    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.9151   -1.2588    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.6296   -0.8462    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4861   -1.2588    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6773   -0.2412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2006   -0.0213    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9151   -2.0838    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6296   -0.0213    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8506   -0.2412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9151    0.3913    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2006   -2.4963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4861   -2.0838    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4861    0.3913    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9350   -1.8938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9151    1.2163    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4861    1.2163    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2006    1.6288    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7349    2.5175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3612   -1.7903    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8675   -1.4982    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8196   -1.4518    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0  0  0  0
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  2 16  2  0  0  0  0
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  3 22  1  0  0  0  0
  4  7  1  0  0  0  0
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  5  6  1  0  0  0  0
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  6  7  1  0  0  0  0
  6 11  1  0  0  0  0
  6 23  1  1  0  0  0
  7 12  1  0  0  0  0
  7 24  1  6  0  0  0
  8 16  1  0  0  0  0
  8 25  1  1  0  0  0
  9 13  1  0  0  0  0
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 12 14  1  0  0  0  0
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 20 21  1  0  0  0  0
M  END
> <DATABASE_ID>
DB00956

> <DATABASE_NAME>
drugbank

> <SMILES>
[H][C@@]12OC3=C(OC)C=CC4=C3[C@@]11CCN(C)[C@]([H])(C4)[C@]1([H])CCC2=O

> <INCHI_IDENTIFIER>
InChI=1S/C18H21NO3/c1-19-8-7-18-11-4-5-13(20)17(18)22-16-14(21-2)6-3-10(15(16)18)9-12(11)19/h3,6,11-12,17H,4-5,7-9H2,1-2H3/t11-,12+,17-,18-/m0/s1

> <INCHI_KEY>
LLPOLZWFYMWNKH-CMKMFDCUSA-N

> <FORMULA>
C18H21NO3

> <MOLECULAR_WEIGHT>
299.3642

> <EXACT_MASS>
299.152143543

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_ATOM_COUNT>
43

> <JCHEM_AVERAGE_NEUTRAL_MICROSPECIES_CHARGE>
0.9932151068431847

> <JCHEM_AVERAGE_POLARIZABILITY>
32.02758424667748

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
(1S,5R,13R,17R)-10-methoxy-4-methyl-12-oxa-4-azapentacyclo[9.6.1.0^{1,13}.0^{5,17}.0^{7,18}]octadeca-7(18),8,10-trien-14-one

> <ALOGPS_LOGP>
2.13

> <JCHEM_LOGP>
1.9603039676666665

> <ALOGPS_LOGS>
-2.57

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NEUTRAL_CHARGE>
1

> <JCHEM_NUMBER_OF_RINGS>
5

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_PKA_STRONGEST_ACIDIC>
19.440386746672676

> <JCHEM_PKA_STRONGEST_BASIC>
9.165500303357218

> <JCHEM_POLAR_SURFACE_AREA>
38.77

> <JCHEM_REFRACTIVITY>
82.74470000000002

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
7.97e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
tetrahydrofolic acid

> <JCHEM_VEBER_RULE>
1

> <DRUGBANK_ID>
DB00956

> <SECONDARY_ACCESSION_NUMBERS>
APRD00591; DB09475

> <DRUG_GROUPS>
approved; illicit; investigational

> <GENERIC_NAME>
Hydrocodone

> <SYNONYMS>
(-)-Dihydrocodeinone; 4,5-alpha-Epoxy-3-methoxy-17-methylmorphinan-6-one; Dihydrocodeinone; Hidrocodona; Hydrocodon; Hydrocodone; Hydrocodonum; Hydrocone; Hydroconum; Idrocodone

> <PRODUCTS>
Antitussive hydrocodone bitartrate and homatropine methylbromide; Atuss HS Tannate; Caldomine Dh Adulte; Caldomine Dh Enfant; Co-gesic; Codofen; Coristine-DH Liq; Dalmacol; Dimetane Expectorant Dc; Dimetane Expectorant-DC Syr; Flowtuss; HYDROCODONE BITARTRATE and ACETAMINOPHEN; HyTan; Hycet; Hycodan; Hycodan Syrup; Hycodan Tablets; Hycofenix; Hycomine; Hycomine-S; Hydrocodone /apap; Hydrocodone APAP; Hydrocodone Acetaminophen; Hydrocodone Bit/apap; Hydrocodone Bitartate and Acetaminophen; Hydrocodone Bitartrate; Hydrocodone Bitartrate And Acetaminophen; Hydrocodone Bitartrate Chlorpheniramine Maleate and Pseudoephedrine Hydrochloride; Hydrocodone Bitartrate and Acetaminophen; Hydrocodone Bitartrate and Acetaminophen Oral; Hydrocodone Bitartrate and Aspirin; Hydrocodone Bitartrate and Chlorpheniramine Maleate; Hydrocodone Bitartrate and Chlorpheniramine Maleate Solution; Hydrocodone Bitartrate and Guaifenesin; Hydrocodone Bitartrate and Homatropine Methylbromide; Hydrocodone Bitartrate and Ibuprofen; Hydrocodone Bitartrate and acetaminophen; Hydrocodone Bitartrate, Chlorpheniramine Maleate and Pseudoephedrine Hydrochloride; Hydrocodone Bitartrate, Chlorpheniramine Maleate, and Pseudoephedrine HCl; Hydrocodone Bitartrate, Chlorpheniramine Maleate, and Pseudoephedrine Hydrochloride Oral Solution; Hydrocodone Bitatrate and Acetaminophen; Hydrocodone Polistirex and Chlorpheniramine Polisitrex; Hydrocodone Polistirex and Chlorpheniramine Polistirex; Hydrocodone Polistirex and Chlorpheniramine Polistirex Extended-Release; Hydrocodone Polistirex and Chlorpheniramine Polistirex Pennkinetic; Hydrocodone Polistirex and Chlorpheniramine Polistirex extended-release; Hydrocodone bitartrate and acetaminophen; Hydrocodone bitartrate and ibuprofen; Hydrocodone bitartrate and pseudoephedrine hydrochloride solution; Hydrocodone/APAP; Hydrocodone/Guaifenesin; Hydrocodone/apap; Hydromet; Hyrdrocodone Apap; Hysingla ER; Ibucodone; Ibudone; Lorcet; Lorcet 10/650; Lorcet Hd; Lorcet Plus; Lortab; Lortab 10/325; Lortab 5/325; Lortab 7.5/325; Maxidone; Mercodol With Decapryn; Norco; Novahistex Dh; Novahistex Dh Expectorant; Novahistine Dh; Obredon; P-Tuss; Pancof HC; Pdp-hydrocodone; Ratio-calmydone; Ratio-coristex-DH; Reprexain; Rezira; Robidone 1mg/ml Syr; Robidone Syr 1mg/ml; Stagesic; Theracodophen-325; Theracodophen-650; Theracodophen-750; Theracodophen-Low-90; Topical Pain; Triaminic Expectorant Dh Syrup; Tussaminic Dh Forte Syrup; Tussaminic Dh Pediatric Syrup; TussiCaps; Tussicaps; Tussicaps Extended-release; Tussigon; Tussionex; Tussionex Pennkinetic; Tussionex Pennkinetic Extended-Release; Vantrela ER; Vasofrinic Dh; Vicodin; Vicodin ES; Vicodin HP; Vicodin Hp; Vicoprofen; Vituz; WellTuss HC; Xodol; Xodol 10/300; Xodol 5/300; Xodol 7.5/300; Xylon 10; Zamicet; Zohydro; Zohydro ER; Zolvit; Zutripro; Zydone; Zyfrel

> <SALTS>
Hydrocodone bitartrate; Hydrocodone hydrochloride; Hydrocodone polistirex

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