Mrv1718009121811092D          

 23 25  0  0  0  0            999 V2000
   -0.2945   -0.6085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0191   -0.2173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4391   -0.6085    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    0.4250   -0.2173    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2945   -1.4200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1108   -0.6230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7291   -0.6085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7774   -0.1303    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1541   -1.3909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4392    0.4975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3572   -1.3909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6133    0.4975    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1490   -0.1979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1490   -1.0239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4391   -0.1883    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7291   -1.4200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2314    0.7389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9708    1.1834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1490   -0.6085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4391   -1.8401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4682    1.8401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2506    1.5648    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1490   -1.4200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  8  1  0  0  0  0
  4  1  1  0  0  0  0
  5  1  2  0  0  0  0
  6  4  1  0  0  0  0
  7  2  1  0  0  0  0
  8  6  1  0  0  0  0
  9 11  1  0  0  0  0
 10  2  1  0  0  0  0
 11  6  1  0  0  0  0
 12  2  1  0  0  0  0
 13  3  1  0  0  0  0
 14  3  1  0  0  0  0
 15  7  1  0  0  0  0
 16  7  2  0  0  0  0
 17 10  1  0  0  0  0
 18 10  1  0  0  0  0
 19 15  2  0  0  0  0
 20 16  1  0  0  0  0
 21 18  1  0  0  0  0
 22 17  1  0  0  0  0
 23 19  1  0  0  0  0
  3  9  1  0  0  0  0
 22 21  1  0  0  0  0
 20 23  2  0  0  0  0
M  CHG  1   3   1
M  END
> <DATABASE_ID>
DB00986

> <DATABASE_NAME>
drugbank

> <SMILES>
C[N+]1(C)CCC(C1)OC(=O)C(O)(C1CCCC1)C1=CC=CC=C1

> <INCHI_IDENTIFIER>
InChI=1S/C19H28NO3/c1-20(2)13-12-17(14-20)23-18(21)19(22,16-10-6-7-11-16)15-8-4-3-5-9-15/h3-5,8-9,16-17,22H,6-7,10-14H2,1-2H3/q+1

> <INCHI_KEY>
ANGKOCUUWGHLCE-UHFFFAOYSA-N

> <FORMULA>
C19H28NO3

> <MOLECULAR_WEIGHT>
318.4305

> <EXACT_MASS>
318.206918767

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_ATOM_COUNT>
51

> <JCHEM_AVERAGE_POLARIZABILITY>
35.8812187933965

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
1

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
3-[(2-cyclopentyl-2-hydroxy-2-phenylacetyl)oxy]-1,1-dimethylpyrrolidin-1-ium

> <ALOGPS_LOGP>
-1.20

> <JCHEM_LOGP>
-1.4080879931384127

> <ALOGPS_LOGS>
-5.57

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_PKA_STRONGEST_ACIDIC>
11.533272276219833

> <JCHEM_PKA_STRONGEST_BASIC>
-4.315146706381445

> <JCHEM_POLAR_SURFACE_AREA>
46.53

> <JCHEM_REFRACTIVITY>
101.0809

> <JCHEM_ROTATABLE_BOND_COUNT>
5

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
9.44e-04 g/l

> <JCHEM_TRADITIONAL_IUPAC>
glycopyrrolate

> <JCHEM_VEBER_RULE>
0

> <DRUGBANK_ID>
DB00986

> <SECONDARY_ACCESSION_NUMBERS>
APRD01000; DB06583

> <DRUG_GROUPS>
approved; investigational; vet_approved

> <GENERIC_NAME>
Glycopyrronium

> <SYNONYMS>
Glicopirronio; Glycopyrrolate; Glycopyrrolate cation; Glycopyrrolate ion; Glycopyrronium; Glycopyrronium cation; Glycopyrronium ion

> <PRODUCTS>
Bevespi Aerosphere; Breztri; Breztri Aerosphere; Cuvposa; Dartisla ODT; Enerzair Breezhaler; Enurev Breezhaler; Glycate; Glycopyrrolate; Glycopyrrolate 1ml; Glycopyrrolate Injection; Glycopyrrolate Injection Multidose; Glycopyrrolate Injection USP; Glycopyrrolate Oral Solution; Glycopyrronium / Formoterol Fumarate Dihydrate Pressurized Inhalation Suspension; Glyrx-PF; Lonhala; Lonhala Magnair; Prevduo; Qbrexza; Riarify; Riltrava Aerosphere; Robinul; Robinul 0.2mg/ml Liq Inj; Robinul Forte; Robinul Forte Tab 2mg; Robinul Tab 1mg; Robinul-forte Tab 2mg; Seebri Breezhaler; Seebri Neohaler; Sialanar; Tovanor Breezhaler; Trimbow; Trixeo Aerosphere; Trydonis; Ultibro Breezhaler; Ulunar Breezhaler; Utibron Neohaler; Xoterna Breezhaler; Zimbus Breezhaler

> <INTERNATIONAL_BRANDS>
Acpan; Nodapton; Robanul; Robinal; Tarodyl

> <SALTS>
Glycopyrronium bromide; Glycopyrronium tosylate

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