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Substance Name: Brotizolam [USAN:INN:BAN:JAN]
RN: 57801-81-7
UNII: 5XZM1R3DKF
InChIKey: UMSGKTJDUHERQW-UHFFFAOYSA-N

Classification Codes

  • Central Nervous System Agents
  • Central Nervous System Depressants
  • Drug / Therapeutic Agent
  • Hypnotics and Sedatives
  • Reproductive Effect
  • Sedative-Hypnotic
  • Tumor Data

Molecular Formula

  • C15-H10-Br-Cl-N4-S

Molecular Weight

  • 393.695
 
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Names and Synonyms

Name of Substance

  • Brotizolam
  • Brotizolam [USAN:INN:BAN:JAN]

Synonyms

  • 2-Bromo-4-(2-chlorophenyl)-9-methyl-6H-thieno(3,2-f)(1,2,4)triazolo(4,3-a)(1,4)diazepine
  • 2-Bromo-4-(o-chlorophenyl)-9-methyl-6H-thieno(3,2-f)-s-triazolo(4,3-a)(1,4)diazepine
  • 6H-Thieno(3,2-f)(1,2,4)triazolo(4,3-a)(1,4)diazepine, 2-bromo-4-(2-chlorophenyl)-9-methyl-
  • 8-Bromo-6-(o-chlorophenyl)-1-methyl-4H-s-triazolo(3,4c)thieno(2,3e)-1,4-diazepine
  • BRN 0839277
  • Brotizolam
  • Brotizolamum
  • Brotizolamum [INN-Latin]
  • EINECS 260-964-5
  • Lendorm
  • Lendormin
  • UNII-5XZM1R3DKF
  • WE 941

Systematic Names

  • 2-Bromo-4-(2-chlorophenyl)-9-methyl-6H-thieno(3,2-f)(1,2,4)triazolo(4,3-a)(1,4)diazepine
  • 6H-Thieno(3,2-f)(1,2,4)triazolo(4,3-a)(1,4)diazepine, 2-bromo-4-(2-chlorophenyl)-9-methyl-
  • Brotizolam

Registry Numbers

CAS Registry Number

  • 57801-81-7

FDA UNII

  • 5XZM1R3DKF

System Generated Number

  • 0057801817

Structure Descriptors

InChI

1S/C15H10BrClN4S/c1-8-19-20-13-7-18-14(9-4-2-3-5-11(9)17)10-6-12(16)22-15(10)21(8)13/h2-6H,7H2,1H3

InChIKey

UMSGKTJDUHERQW-UHFFFAOYSA-N

Smiles

Cc1nnc2n1-c3c(cc(s3)Br)C(=NC2)c4ccccc4Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
cat LDLo oral > 100mg/kg (100mg/kg) BEHAVIORAL: ATAXIA

BEHAVIORAL: FOOD INTAKE (ANIMAL)

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)
Arzneimittel-Forschung. Drug Research. Vol. 36, Pg. 540, 1986.
dog LD50 oral > 2gm/kg (2000mg/kg) BEHAVIORAL: EXCITEMENT

BEHAVIORAL: ATAXIA

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)
Arzneimittel-Forschung. Drug Research. Vol. 36, Pg. 592, 1986.
monkey LDLo oral > 2500ug/kg (2.5mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

BEHAVIORAL: ATAXIA
Arzneimittel-Forschung. Drug Research. Vol. 36, Pg. 540, 1986.
mouse LD50 intraperitoneal 920mg/kg (920mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

BEHAVIORAL: ATAXIA
Arzneimittel-Forschung. Drug Research. Vol. 36, Pg. 592, 1986.
mouse LD50 intravenous > 20mg/kg (20mg/kg)   Drugs in Japan Vol. -, Pg. 1028, 1990.
mouse LD50 oral > 10gm/kg (10000mg/kg) BEHAVIORAL: ATAXIA

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)
Arzneimittel-Forschung. Drug Research. Vol. 36, Pg. 592, 1986.
pig LDLo oral > 10mg/kg (10mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

AUTONOMIC NERVOUS SYSTEM: "SMOOTH MUSCLE RELAXANT (MECHANISM UNDEFINED, SPASMOLYTIC)"

BEHAVIORAL: ATAXIA
Arzneimittel-Forschung. Drug Research. Vol. 36, Pg. 540, 1986.
rabbit LD50 oral > 2gm/kg (2000mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

BEHAVIORAL: ATAXIA

AUTONOMIC NERVOUS SYSTEM: "SMOOTH MUSCLE RELAXANT (MECHANISM UNDEFINED, SPASMOLYTIC)"
Arzneimittel-Forschung. Drug Research. Vol. 36, Pg. 592, 1986.
rat LD50 intraperitoneal > 1gm/kg (1000mg/kg) BEHAVIORAL: ATAXIA

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

SENSE ORGANS AND SPECIAL SENSES: LACRIMATION: EYE
Arzneimittel-Forschung. Drug Research. Vol. 36, Pg. 592, 1986.
rat LD50 intravenous > 20mg/kg (20mg/kg)   Drugs in Japan Vol. -, Pg. 1028, 1990.
rat LDLo oral 3456mg/kg (3456mg/kg) BEHAVIORAL: TREMOR

LUNGS, THORAX, OR RESPIRATION: DYSPNEA
Arzneimittel-Forschung. Drug Research. Vol. 36, Pg. 540, 1986.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 212-214 deg C   EXP
log P (octanol-water) 2.79 (none)   EXP
Water Solubility 1.080 mg/L 25 EST
Vapor Pressure 1.29E-09 mm Hg 25 EST
Henry's Law Constant 2.11E-12 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.23E-11 cm3/molecule-sec 25 EST

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