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Substance Name: Scopolamine, hydrochloride
RN: 55-16-3
UNII: Q2P66EIP1F
InChIKey: KXPXJGYSEPEXMF-MOUKNHLCSA-N

Note

  • An alkaloid from SOLANACEAE, especially DATURA and SCOPOLIA. Scopolamine and its quaternary derivatives act as antimuscarinics like ATROPINE, but may have more central nervous system effects. Among the many uses are as an anesthetic premedication, in URINARY INCONTINENCE, in MOTION SICKNESS, as an antispasmodic, and as a mydriatic and cycloplegic.

Molecular Formula

  • C17-H21-N-O4.Cl-H

Molecular Weight

  • 339.8168
 

Classification Code

  • Drug / Therapeutic Agent
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Names and Synonyms

Results Name

  • Scopolamine, hydrochloride

Name of Substance

  • Scopolamine hydrochloride

Synonyms

  • Chlorhydrate de scopolamine
  • Chlorhydrate de scopolamine [French]
  • EINECS 200-225-6
  • Hyoscine hydrochloride
  • Scopolamine, hydrochloride
  • UNII-Q2P66EIP1F

Systematic Names

  • 1-alpha-H,5-alpha-H-Tropan-3-alpha-ol, 6-beta,7-beta-epoxy-, (-)-tropate (ester), HCl, (8CI)
  • Benzeneacetic acid, alpha-(hydroxymethyl)-, 9-methyl-3-oxa-9-azatricyclo(3.3.1.0(sup 2,4))non-7-yl ester, hydrochloride, (7(S)-(1-alpha,2-beta,4-beta,5-alpha,7-beta))-
  • Hyoscine hydrochloride

Registry Numbers

CAS Registry Number

  • 55-16-3

FDA UNII

  • Q2P66EIP1F

System Generated Number

  • 0000055163

Molecular Formulas

Molecular Formula

  • C17-H21-N-O4.Cl-H

Molecular Formula Fragments

  • C17-H21-N-O4
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C17H21NO4.ClH/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/t11-,12-,13-,14+,15-,16+;/m1./s1

InChIKey

KXPXJGYSEPEXMF-MOUKNHLCSA-N

Smiles

CN1[C@@H]2C[C@H](C[C@H]1[C@H]3[C@@H]2O3)OC(=O)[C@H](CO)c4ccccc4.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 104mg/kg (104mg/kg) AUTONOMIC NERVOUS SYSTEM: PARASYMPATHOLYTIC Archiv fuer Toxikologie. Vol. 29, Pg. 39, 1972.
mouse LD50 oral 1275mg/kg (1275mg/kg)   Schweizerische Medizinische Wochenschrift. Vol. 88, Pg. 713, 1958.