scopolamine

Chemical Formula:

C₁₇H₂₁NO₄

Molecular Weight:

303.357 Daltons

Monoisotopic Mass:

303.1470581677 Daltons

SMILES:

CN2(C3(CC(OC(C(C1(=CC=CC=C1))CO)=O)CC2C4(OC34)))

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/s1

InChIKey:

STECJAGHUSJQJN-FWXGHANASA-N

Synonyms

hyoscine
scopamin
beldavrin
hyosol
(1R,2R,4S,5S,7s)-9-methyl-3-oxa-9-azatricyclo[3.3.1.0^2,4]nonan-7-yl (2S)-3-hydroxy-2-phenylpropanoate

Databases

MetaCyc: SCOPOLAMINE

PubChem (CID): 3000322

MetaboLights: MTBLC16794

HMDB: HMDB03573

DRUGBANK: DB00747

ChEBI: 16794

ChemSpider: 135128

KEGG: C01851

Seed: cpd01274

MetaNetX: MNXM4105

CAS: 51-34-3