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Substance Name: Sodium bromebrate, (Z)-
RN: 2126-70-7
UNII: CQ35023DF7
InChIKey: DVDCIQWIGOVWEX-BORNJIKYSA-M

Classification Codes

  • Drug / Therapeutic Agent
  • Human Data
  • Mutation Data

Molecular Formulas

  • C11-H8-Br-O4.Na
  • C11-H9-Br-O4.Na

Molecular Weight

  • 307.074
 
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Names and Synonyms

Name of Substance

  • Sodium bromebrate, (Z)-

Synonyms

  • 2-Butenoic acid, 3-bromo-4-(4-methoxyphenyl)-4-oxo-, sodium salt,(Z)-
  • Acrylic acid, 3-bromo-3-(4-methoxybenzoyl)-, sodium salt, (Z)-
  • Bromebric acid, sodium salt, (Z)-isomer
  • NSC 104801
  • Sodium (Z)-3-bromo-4-(4-methoxyphenyl)-4-oxo-2-butenoate
  • UNII-CQ35023DF7

Systematic Names

  • 2-Butenoic acid, 3-bromo-4-(4-methoxyphenyl)-4-oxo-, sodium salt, (Z)- (9CI)
  • Acrylic acid, 3-p-anisoyl-3-bromo-, sodium salt, (Z)-

Registry Numbers

CAS Registry Number

  • 2126-70-7

FDA UNII

  • CQ35023DF7

Other Registry Number

  • 25550-61-2

System Generated Number

  • 0002126707

Molecular Formulas

Molecular Formulas

  • C11-H8-Br-O4.Na
  • C11-H9-Br-O4.Na

Molecular Formula Fragments

  • C11-H8-Br-O4
  • C11-H9-Br-O4
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C11H9BrO4.Na/c1-16-8-4-2-7(3-5-8)11(15)9(12)6-10(13)14;/h2-6H,1H3,(H,13,14);/q;+1/p-1/b9-6-;

InChIKey

DVDCIQWIGOVWEX-BORNJIKYSA-M

Smiles

C(=C(\C(c1ccc(cc1)OC)=O)Br)\C([O-])=O.[Na+]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
dog LDLo intravenous 200mg/kg (200mg/kg) KIDNEY, URETER, AND BLADDER: "CHANGES IN TUBULES (INCLUDING ACUTE RENAL FAILURE, ACUTE TUBULAR NECROSIS)"

BLOOD: OTHER CHANGES

KIDNEY, URETER, AND BLADDER: PROTEINURIS
Cancer Chemotherapy Reports, Part 1. Vol. 59, Pg. 1071, 1975.
human TDLo intravenous 60mg/kg/5D (60mg/kg) GASTROINTESTINAL: NAUSEA OR VOMITING

BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY)

BEHAVIORAL: "HALLUCINATIONS, DISTORTED PERCEPTIONS"
Journal of the National Cancer Institute. Vol. 59, Pg. 1619, 1977.
mouse LD50 intraperitoneal 49720ug/kg (49.72mg/kg)   National Cancer Institute Screening Program Data Summary, Developmental Therapeutics Program. Vol. JAN1986,
mouse LD50 intravenous 98mg/kg (98mg/kg) BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX)

BEHAVIORAL: MUSCLE CONTRACTION OR SPASTICITY)
Neoplasma. Vol. 16, Pg. 121, 1969.
mouse LD50 subcutaneous 52mg/kg (52mg/kg) BEHAVIORAL: FOOD INTAKE (ANIMAL)

BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX)
Neoplasma. Vol. 16, Pg. 121, 1969.
rat LD50 intraperitoneal 155mg/kg (155mg/kg) BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX)

BEHAVIORAL: FOOD INTAKE (ANIMAL)
Neoplasma. Vol. 16, Pg. 121, 1969.
rat LD50 intravenous 245mg/kg (245mg/kg) BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX)

BEHAVIORAL: MUSCLE CONTRACTION OR SPASTICITY)
Neoplasma. Vol. 16, Pg. 121, 1969.
rat LD50 subcutaneous 155mg/kg (155mg/kg) BEHAVIORAL: FOOD INTAKE (ANIMAL)

BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX)
Neoplasma. Vol. 16, Pg. 121, 1969.