371
  Mrv0541 02231214382D          

 15 14  0  0  0  0            999 V2000
    6.3799   -0.4529    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5220   -0.4529    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0944    0.7846    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8075   -1.6905    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8089   -0.4529    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0930   -0.4529    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9509   -0.4529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5384    0.2615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6655   -0.0404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2365   -0.8654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3634   -1.1675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9509    0.9760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5384    1.6905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0944   -0.0404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8075   -0.8654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0
  1 14  1  0  0  0  0
  2 10  1  0  0  0  0
  2 15  1  0  0  0  0
  3 14  2  0  0  0  0
  4 15  2  0  0  0  0
  5 14  1  0  0  0  0
  6 15  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 10  1  0  0  0  0
  7 11  1  0  0  0  0
  8 12  1  0  0  0  0
 12 13  1  0  0  0  0
M  END
> <DRUGBANK_ID>
DB00371

> <DRUG_GROUPS>
illicit; approved

> <GENERIC_NAME>
Meprobamate

> <SYNONYMS>
DEA No. 2820; Meprobamat [German]; Meprobamato [INN-Spanish]; Meprobamato [Italian]; Meprobamatum [INN-Latin]; Meprobamic acid; Procarbamide

> <BRANDS>
3P bamate; Amepromat; Amosene; Anastress; Anathylmon; Anatimon; Andaksin; Andaxin; Aneural; Aneurol; Aneusral; Aneuxal; Aneuxral; Ansiatan; Ansietan; Ansil; Ansiowas; Anural; Anxietil; Anzil; Apascil; Apasil; Apo-Meprobamate; Appetrol; Appetrol-Sr; Arcoban; Arpon; Artolon; Ataraxine; Atraxin; Auxietil; Ayeramate; Ayermate; Bamate; Bamd 400; Bamo 400; Biobamat; Biobamate; Brobamate; Calmadin; Calmax; Calmiren; Canquil 400; Canquil-400; Carbaxin; Cirpon; Cirponyl; Coprobate; Crestanil; Cypron; Cyrpon; Dapaz; Deprol; Despasmol; Dicandiol; Diron; Diurnal; Diveron; Dormabrol; Ecuanil; Edenal; Enorden; Epicur; Epikur; Equanil; Equatrate; Equazine-M; Equilium; Equinil; Equitar; Erina; Estasil; Fas-Cile; Fas-Cile 200; Gadexyl; Gagexyl; Harmonin; Hartol; Holbamate; Ipsotian; Kesso-Bamate; Kessobamate; Klort; Larten; Lepenil; Lepetown; Letyl; Libiolan; Madiol; Mar-Bate; Margonil; Mendel; Mepamtin; Mepantin; Mepavlon; Mepiosine; Meposed; Mepranil; Mepriam; Meprin; Meprindon; Mepro-analgesic; Mepro-Aspirin; Meprobam; Meprobamat; Meproban; Meprocompren; Meprocon; Meprocon CMC; Meprodil; Meprodiol; Meprol; Meproleaf; Mepronil; Meprosa; Meprosan; Meprosin; Meprospan; Meprotabs; Meprotan; Meprotanum; Meproten; Meprotil; Meprovan; Meprozine; Meptran; Metractyl; Metranquil; Micrainin; Milpath; Milprem; Miltamato; Miltann; Miltaun; Miltown; Miltuan; Miltwon; Misedant; Morbam; Multaun; My-trans; Neo-Tran; Nephentine; Nervonus; Neuramate; Oasil; Optarket; Orlevol; Orolevol; Pan-tranquil; Pancalma; Panediol; Pankalma; Pathibamate; Paxin; Pensive; Perequietil; Perequil; Perquietil; Pertranquil; Pimal; Placidon; Placitate; Prequil; Probamato; Probamyl; Probate; Procalmadiol; Procalmadol; Procalmidol; Promate; Promato; Proquanil; Protran; Q-Gesic; Quaname; Quanane; Quanil; Quietidon; Quivet; Rastenil; Reostral; Restenil; Restenyl; Restinal; Restinil; Restran; Robamate; Sadanyl; Scolazil; Sedabamate; Sedanil; Sedanyl; Sedazil; Sedoquil; Sedoselecta; Selene; Seril; Setran; Shalvaton; SK-Bamate; Solevione anastress; Sowell; Spantran; Stensolo; Tamate; Tensol; Tensonal; Trancot; Trankvilan; Tranlisant; Tranmep; Tranquil; Tranquilan; Tranquilate; Tranquilax; Tranquiline; Tranquillin; Tranquilsan; Tranquinol; Tranquisan; Trelmar; Urbil; Urbilat; Vio-Bamate; Vistabamate; Wardamate; Wyseals; Zirpon

> <CHEMICAL_FORMULA>
C9H18N2O4

> <MOLECULAR_WEIGHT>
218.2502

> <EXACT_MASS>
218.126657074

> <IUPAC_NAME>
2-[(carbamoyloxy)methyl]-2-methylpentyl carbamate

> <INCHI_IDENTIFIER>
InChI=1S/C9H18N2O4/c1-3-4-9(2,5-14-7(10)12)6-15-8(11)13/h3-6H2,1-2H3,(H2,10,12)(H2,11,13)

> <INCHI_KEY>
InChIKey=NPPQSCRMBWNHMW-UHFFFAOYSA-N

> <SMILES>
CCCC(C)(COC(N)=O)COC(N)=O

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_ACIDIC_PKA>
15.63

> <ALOGPS_LOGP>
0.64

> <JCHEM_LOGP>
0.93

> <ALOGPS_LOGS>
-1.9

> <JCHEM_POLARIZABILITY>
22.65

> <JCHEM_POLAR_SURFACE_AREA>
104.64

> <JCHEM_REFRACTIVITY>
53.04

> <JCHEM_ROTATABLE_BOND_COUNT>
8

> <ALOGPS_SOLUBILITY>
2.47e+00 g/l

$$$$