(±)-Atropine
Properties
- Molecular formula
- C17H23NO3
- Molar mass
- 289.38 g/mol
- Exact mass
- 289.1678 Da
- Melting point
- 118.5 °C
- logP
- 1.93Crippen estimate
- Polar surface area
- 49.8 Ų
- H-bond donors / acceptors
- 1 / 4
- Rotatable bonds
- 4
Identifiers
CAS number
51-55-8SMILES
CN1[C@@H]2CC[C@H]1C[C@@H](OC(=O)C(CO)c1ccccc1)C2InChIKey
RKUNBYITZUJHSG-SPUOUPEWNA-NInChI
InChI=1/C17H23NO3/c1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12/h2-6,13-16,19H,7-11H2,1H3/t13-,14+,15+,16?Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
12 names
- Benzeneacetic acid, α-(hydroxymethyl)- (3-endo)-8-methyl-8-azabicyclo[3.2.1]oct-3-yl ester
- 1αH,5αH-Tropan-3α-ol (±)-tropate (ester)
- Benzeneacetic acid, α-(hydroxymethyl)-, 8-methyl-8-azabicyclo[3.2.1]oct-3-yl ester, endo-
- (3-Endo)-8-Methyl-8-azabicyclo[3.2.1]oct-3-yl α-(hydroxymethyl)benzeneacetate
- Dl-Hyoscyamine
- Atropine
- Dl-Tropyl tropate
- Tropine (±)-tropate
- Atropin
- (±)-Hyoscyamine
- Tropine tropate
- Atropinum sulphuricum