(±)-Homatropine
Properties
- Molecular formula
- C16H21NO3
- Molar mass
- 275.35 g/mol
- Exact mass
- 275.1521 Da
- Melting point
- 99.5 °C
- logP
- 1.89Crippen estimate
- Polar surface area
- 49.8 Ų
- H-bond donors / acceptors
- 1 / 4
- Rotatable bonds
- 3
- Stereocentres
- R, S, rin SMILES atom order
Hazards
No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library
Identifiers
CAS number
87-00-3SMILES
CN1[C@@H]2CC[C@H]1C[C@@H](OC(=O)C(O)c1ccccc1)C2InChIKey
ZTVIKZXZYLEVOL-MCOXGKPRNA-NInChI
InChI=1/C16H21NO3/c1-17-12-7-8-13(17)10-14(9-12)20-16(19)15(18)11-5-3-2-4-6-11/h2-6,12-15,18H,7-10H2,1H3/t12-,13+,14+,15?Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
12 names
- Benzeneacetic acid, α-hydroxy-, (3-endo)-8-methyl-8-azabicyclo[3.2.1]oct-3-yl ester
- 1αH,5αH-Tropan-3α-ol, (±)-mandelate (ester)
- Benzeneacetic acid, α-hydroxy-, 8-methyl-8-azabicyclo[3.2.1]oct-3-yl ester, endo-(±)-
- Homatropin
- Homatropine
- (±)-Mandelyltropine
- Tropine (±)-mandelate (ester)
- (±)-Mandelic acid 1αH,5αH-tropan-3α-yl ester
- Homoatropine
- Benzeneacetic acid, α-hydroxy-, 8-methyl-8-azabicyclo[3.2.1]oct-3-yl ester, endo-
- Mandelyltropeine
- Tropine mandelate
Work with (±)-Homatropine
Stereoisomers, salts and isotopologues
The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.
Similar compounds
(-)-Atropine101-31-572 % similar
(±)-Atropine51-55-872 % similar
Hyoscyamine hydrobromide306-03-667 % similar
Hyoscyamine hydrochloride5934-50-967 % similar
Atropine sulfate55-48-162 % similar
Hyoscyamine sulfate620-61-162 % similar
Homatropine methobromide80-49-960 % similar
Atropine sulfate monohydrate5908-99-659 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds