(-)-Scopolamine
Properties
- Molecular formula
- C17H21NO4
- Molar mass
- 303.36 g/mol
- Exact mass
- 303.1471 Da
- Melting point
- 55 °C
- logP
- 0.92Crippen estimate
- Polar surface area
- 62.3 Ų
- H-bond donors / acceptors
- 1 / 5
- Rotatable bonds
- 4
- Stereocentres
- R, s, S, S, 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
51-34-3SMILES
CN1[C@@H]2C[C@@H](OC(=O)[C@H](CO)c3ccccc3)C[C@H]1[C@@H]1O[C@@H]12InChIKey
STECJAGHUSJQJN-FWXGHANASA-NInChI
InChI=1S/C17H21NO4/c1-18-13-7-11(8-14(18)16-15(13)22-16)21-17(20)12(9-19)10-5-3-2-4-6-10/h2-6,11-16,19H,7-9H2,1H3/t11-,12-,13-,14+,15-,16+/m1/s1Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
21 names · show all
- Benzeneacetic acid, α-(hydroxymethyl)-, (1α,2β,4β,5α,7β)-9-methyl-3-oxa-9-azatricyclo[3.3.1.02,4]non-7-yl ester, (αS)-
- 1αH,5αH-Tropan-3α-ol, 6β,7β-epoxy-, (-)-tropate (ester)
- Benzeneacetic acid, α-(hydroxymethyl)-, 9-methyl-3-oxa-9-azatricyclo[3.3.1.02,4]non-7-yl ester, [7(S)-(1α,2β,4β,5α,7β)]-
- 3-Oxa-9-azatricyclo[3.3.1.02,4]nonane, benzeneacetic acid deriv.
- Scopolamine
- Atrochin
- Atroquin
- (-)-Hyoscine
- Hyoscine
- 9-Methyl-3-oxa-9-azatricyclo[3.3.1.02,4]nonan-7-ol (-)-tropate
- Scopine (-)-tropate
- 6β,7β-Epoxy-3α-tropanyl S-(-)-tropate
- 6,7-Epoxytropine tropate
- Scopine tropate
- SEE
- l-Scopolamine
- Transderm-scop
- Scop
- Scopoderm TTS
- Tropic acid ester with scopine
- Transcop
Work with (-)-Scopolamine
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
(-)-Atropine101-31-571 % similar
(±)-Atropine51-55-871 % similar
Hyoscyamine hydrobromide306-03-667 % similar
Hyoscyamine hydrochloride5934-50-967 % similar
Anisodamine hydrobromide55449-49-567 % similar
Atropine sulfate55-48-163 % similar
Hyoscyamine sulfate620-61-163 % similar
(-)-Scopolamine methobromide155-41-962 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds