Responsive image

Common name

Anisotropine Methylbromide

IUPAC name

8,8-dimethyl-3-[(2-propylpentanoyl)oxy]-8-azabicyclo[3.2.1]octan-8-ium bromide

SMILES

[Br-].CCCC(CCC)C(=O)O[C@H]1CC2CCC(C1)[N+]2(C)C

Compound class

Muscarinic Antagonists; Cholinergic Antagonists;

Therapeutic area

For use in conjunction with antacids or histamine H.

Common name

Anisotropine Methylbromide

IUPAC name

8,8-dimethyl-3-[(2-propylpentanoyl)oxy]-8-azabicyclo[3.2.1]octan-8-ium bromide

SMILES

[Br-].CCCC(CCC)C(=O)O[C@H]1CC2CCC(C1)[N+]2(C)C

INCHI

InChI=1S/C17H32NO2.BrH/c1-5-7-13(8-6-2)17(19)20-16-11-14-9-10-15(12-16)18(14,3)4;/h13-16H,5-12H2,1-4H3;1H/q+1;/p-1

FORMULA

C17H32BrNO2

Responsive image

Common name

Anisotropine Methylbromide

IUPAC name

8,8-dimethyl-3-[(2-propylpentanoyl)oxy]-8-azabicyclo[3.2.1]octan-8-ium bromide

Molecular weight

282.441

clogP

0.645

clogS

-4.085

HBond Acceptor

2

HBond Donor

0

Total Polar
Surface Area

26.3

Number of Rings

2

Rotatable Bond

7

Drug ID Common name Structure CAS SMILE Frequency
FDBF00004 acetic acid Responsive image CC(=O)O 0.0687
FDBF00007 propane Responsive image C(C)C 0.2412
FDBF00047 propionic acid Responsive image CCC(=O)O 0.0395
FDBF00062 pentanoic acid Responsive image CCCCC(=O)O 0.0079
FDBF00240 2-methylpropanoic acid Responsive image CC(C)C(=O)O 0.0027
FDBF00699 (2S)-2-methylpentanoic acid Responsive image C(C)CC(C)C(=O)O 0.0007
FDBF01166 [(1S,5R)-8,8-dimethyl-8λ4-azabicyclo[3.2.1]octan-3-yl] acetate Responsive image C12[N](C(CC1)CC(C2)OC(=O)C)(C)C 0.0003
FDBF01167 [(1S,5R)-8,8-dimethyl-8λ4-azabicyclo[3.2.1]octan-3-yl] propanoate Responsive image C12[N](C(CC1)CC(C2)OC(=O)CC)(C)C 0.0003
FDBF01168 [(1S,5R)-8,8-dimethyl-8λ4-azabicyclo[3.2.1]octan-3-yl] 2-methylpropanoate Responsive image C12[N](C(CC1)CC(C2)OC(=O)C(C)C)(C)C 0.0003
FDBF01169 (1R,5S)-8,8-dimethyl-8λ4-azabicyclo[3.2.1]octane Responsive image C12[N](C(CC1)CCC2)(C)C 0.0007
11 , 2