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scopolamine hydrobromide trihydrate

Properties

Image

Occurences in reactions

MNX_ID

MNXM161008

	#reac
in my sandbox	0
in MNXref (generic)	0
in models (compartimentalized)	0

formula

C₁₇H₂₈BrNO₇

charge

mass

437.10491

reference

chebi:61272

InChIKey

LACQPOBCQQPVIT-SEYKEWMNSA-N

InChI

InChI=1S/C17H21NO4.BrH.3H2O/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;1H;3*1H2/t11-,12-,13-,14+,15-,16+;;;;/m1..../s1

SMILES

Br.CN1[C@H]2C[C@H](OC(=O)[C@H](CO)c3ccccc3)C[C@@H]1[C@H]1O[C@@H]21.O.O.O

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:61272 chebi:61272	scopolamine hydrobromide trihydrate (-)-scopolamine hydrobromide trihydrate (1R,2R,4S,5S,7s)-9-methyl-3-oxa-9-azatricyclo[3.3.1.0(2,4)]non-7-yl (2S)-3-hydroxy-2-phenylpropanoate hydrobromide--water (1/3) (1R,2R,4S,5S,7s,9s)-7-{[(2S)-3-hydroxy-2-phenylpropanoyl]oxy}-9-methyl-3-oxa-9-azoniatricyclo[3.3.1.0(2,4)]nonane bromide--water (1/3) Hysco Isopto hyoscine hyoscine hydrobromide trihydrate scopolamine hydrobromide scopolaminium bromide trihydrate scopolammonium bromide trihydrate
kegg.drug:D02071 keggD:D02071	Scopolamine hydrobromide (USP) Hysco (TN) Isopto hyoscine (TN) Scopolamine hydrobromide hydrate (JP18) Scopolamine hydrobromide trihydrate
keggD:M_D02071	secondary/obsolete/fantasy identifier