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Hyoscine Butylbromide Impurity E HCl
An impurity of N-Butylscopolammonium bromide. N-Butylscopolammonium bromide is a medication used to treat crampy abdominal pain, esophageal spasms, renal colic, and bladder spasms.
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Catalog
BRP-02098
Synonyms
N-Butylhyoscine HCl; [7(S)-(1α2β,4β,5α,7β)]-α-(Hydroxymethyl)benzeneacetic Acid; 9-Butyl-3-oxa-9-azatricyclo[3.3.1.02,4]non-7-yl Ester Hydrochloride; 8-Butyl-6β,7β-epoxy-1αH,5αH-nortropan-3α-ol (-)-Tropate Ester Hydrochloride; N-Butylnorhyoscine Hydrochloride; N-Butylnorscopolamine Hydrochloride; N-Butyl Nor Scopolamine Hydrochloride; Benzeneacetic acid, α-(hydroxymethyl)-, 9-butyl-3-oxa-9-azatricyclo[3.3.1.02,4]non-7-yl ester, hydrochloride, [7(S)-(1α,2β,4β,5α,7β)]-; 1αH,5αH-Nortropan-3α-ol, 8-butyl-6β,7β-epoxy-, (-)-tropate (ester), hydrochloride (1:1)
CAS
22235-98-9
IUPAC Name
(1R,2R,4S,5S,7s)-9-butyl-3-oxa-9-azatricyclo[3.3.1.02,4]nonan-7-yl (S)-3-hydroxy-2-phenylpropanoate
Molecular Weight
381.89
Molecular Formula
C20H27NO4.HCl
Canonical SMILES
Cl.O=C(OC1CC2N(CCCC)C(C1)C3OC32)C(C=4C=CC=CC4)CO
InChI
InChI=1S/C20H27NO4.ClH/c1-2-3-9-21-16-10-14(11-17(21)19-18(16)25-19)24-20(23)15(12-22)13-7-5-4-6-8-13;/h4-8,14-19,22H,2-3,9-12H2,1H3;1H
InChIKey
SSLCPCNDUBUVAN-HGICXHHTSA-N
Melting Point
146-148 °C
Purity
>95%
Solubility
Soluble in Methanol (Slightly), Water (Slightly)
Appearance
Off-white solid
Storage
Store at -20 °C, under inert atmosphere
Related CAS
14861-14-4 (free base)
Chemical Structure:
