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Substance Name: Scopolamine hydrobromide
RN: 114-49-8
UNII: R3K67DRL3J
InChIKey: WTGQALLALWYDJH-MOUKNHLCSA-N

Classification Codes

  • Drug / Therapeutic Agent
  • Mutation Data
  • Reproductive Effect

Molecular Formula

  • C17-H21-N-O4.Br-H

Molecular Weight

  • 384.2678
 
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Names and Synonyms

Results Name

  • Scopolamine hydrobromide

Name of Substance

  • Scopolamine hydrobromide anhydrous

Synonyms

  • (-)-Hyoscine hydrobromide
  • (-)-Scopolamine bromide
  • (-)-Scopolamine hydrobromide
  • 1alphaH,5alphaH-Tropan-3-alpha-ol, 5beta,7beta-epoxy-, (-)-tropate (ester), hydrobromide
  • Beldavrin
  • EC 204-050-6
  • EINECS 204-050-6
  • Euscopol
  • Hyoscine bromide
  • Hyoscine hydrobromide
  • Hyosol
  • Hysco
  • Isoscopil
  • Kwells
  • l-Hyoscine hydrobromide
  • l-Scopolamine-hydrobromide
  • NSC 61806
  • Scopamin
  • Scopolamine bromide
  • Scopolamine hydrobromide
  • Scopolaminium bromide
  • Scopolammonium bromide
  • Scopos
  • Sereen
  • Tranaxine
  • UNII-R3K67DRL3J

Systematic Names

  • 1-alpha-H,5-alpha-H-Tropan-3-alpha-ol, 6-beta,7-beta-epoxy-, (-)-tropate (ester), hydrobromide
  • 1alphaH,5alphaH-Tropan-3alpha-ol, 6beta,7beta-epoxy-, (-)-tropate (ester), hydrobromide (8CI)
  • Benzeneacetic acid, alpha-(hydroxymethyl)-, (1alpha,2beta,4beta,5alpha,7beta)-9-methyl-3-oxa-9-azatricyclo(3.3.1.02,4)non-7-yl ester, hydrobromide (1:1), (alphaS)-
  • Benzeneacetic acid, alpha-(hydroxymethyl)-, (1alpha,2beta,4beta,5alpha,7beta)-9-methyl-3-oxa-9-azatricyclo(3.3.1.02,4)non-7-yl ester, hydrobromide, (alphaS)-
  • Benzeneacetic acid, alpha-(hydroxymethyl)-, 9-methyl-3-oxa-9-azatricyclo(3.3.1.02,4)non-7-yl ester, hydrobromide, (7(S)-(1alpha,2beta,4beta,5alpha,7beta))- (9CI)
  • Hyoscine hydrobromide

Registry Numbers

CAS Registry Number

  • 114-49-8

FDA UNII

  • R3K67DRL3J

Other Registry Numbers

  • 70-50-8
  • 8013-72-7

System Generated Number

  • 0000114498

Molecular Formulas

Molecular Formula

  • C17-H21-N-O4.Br-H

Molecular Formula Fragments

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

Structure Descriptors

InChI

1S/C17H21NO4.BrH/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

WTGQALLALWYDJH-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.Br

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
cat LDLo intravenous 80mg/kg (80mg/kg) LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES

VASCULAR: BP LOWERING NOT CHARACTERIZED IN AUTONOMIC SECTION

CARDIAC: OTHER CHANGES
Naunyn-Schmiedeberg's Archiv fuer Experimentelle Pathologie und Pharmakologie. Vol. 120, Pg. 189, 1927.
guinea pig LD50 subcutaneous 850mg/kg (850mg/kg) AUTONOMIC NERVOUS SYSTEM: PARASYMPATHOLYTIC Archives Internationales de Pharmacodynamie et de Therapie. Vol. 137, Pg. 375, 1962.
mouse LD50 intraperitoneal 650mg/kg (650mg/kg)   Compilation of LD50 Values of New Drugs.
mouse LD50 intravenous 203mg/kg (203mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 79, Pg. 127, 1943.
mouse LD50 oral 1880mg/kg (1880mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 18, Pg. 1132, 1968.
mouse LD50 subcutaneous 1650mg/kg (1650mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 18, Pg. 1132, 1968.
rabbit LDLo intravenous 100mg/kg (100mg/kg) BEHAVIORAL: GENERAL ANESTHETIC

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD
Naunyn-Schmiedeberg's Archiv fuer Experimentelle Pathologie und Pharmakologie. Vol. 120, Pg. 189, 1927.
rat LD50 intraduodenal 670mg/kg (670mg/kg)   Archives Internationales de Pharmacodynamie et de Therapie. Vol. 180, Pg. 155, 1969.
rat LD50 oral 1270mg/kg (1270mg/kg)   Archives Internationales de Pharmacodynamie et de Therapie. Vol. 180, Pg. 155, 1969.
rat LD50 subcutaneous 296mg/kg (296mg/kg)   United States Patent Document. Vol. #3380887,

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 196.5 deg C   EXP
log P (octanol-water) -1.130 (none)   EST
Water Solubility 6.66E+05 mg/L 25 EXP
Vapor Pressure 1.13E-15 mm Hg 25 EST
Henry's Law Constant 1.68E-23 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 5.37E-11 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.