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Substance Name: Cytembena
RN: 21739-91-3
UNII: 9V238C7BMX
InChIKey: DVDCIQWIGOVWEX-MLBSPLJJSA-M

Classification Codes

  • Drug / Therapeutic Agent
  • Mutation Data
  • Tumor Data

Molecular Formula

  • C11-H9-Br-O4.Na

Molecular Weight

  • 307.074
 
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Names and Synonyms

Name of Substance

  • Cytembena

Synonyms

  • (E)-3-p-Anisoyl-3-bromoacrylic acid sodium salt
  • 2-Butenoic acid, 3-bromo-4-(4-methoxyphenyl)-4-oxo-, sodium salt, (E)-
  • Acrylic acid, 3-p-anisoyl-3-bromo-, sodium salt, (E)-
  • Bromebric acid, sodium salt, (E)-isomer
  • CCRIS 189
  • Cytembena
  • HSDB 4134
  • NCI-C50737
  • Sodium (E)-beta-4-methoxybenzoyl-beta-bromoacrylate
  • Sodna sul kyseliny cis-beta-4-methoxybenzoyl-beta-bromakrylove
  • Sodna sul kyseliny cis-beta-4-methoxybenzoyl-beta-bromakrylove [Czech]
  • UNII-9V238C7BMX

Systematic Names

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

Superlist Name

  • Cytembena

Registry Numbers

CAS Registry Number

  • 21739-91-3

FDA UNII

  • 9V238C7BMX

System Generated Number

  • 0021739913

Molecular Formulas

Molecular Formula

  • C11-H9-Br-O4.Na

Molecular Formula Fragments

  • 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-MLBSPLJJSA-M

Smiles

c1(C(\C(=C/C(=O)[O-])Br)=O)ccc(OC)cc1.[Na+]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 50mg/kg (50mg/kg)   Cesko-Slovenska Farmacie. Vol. 29, Pg. 106, 1980.
mouse LD50 intravenous 98mg/kg (98mg/kg)   Cesko-Slovenska Farmacie. Vol. 29, Pg. 106, 1980.
mouse LD50 subcutaneous 52mg/kg (52mg/kg)   Cesko-Slovenska Farmacie. Vol. 29, Pg. 106, 1980.
rat LD50 intraperitoneal 155mg/kg (155mg/kg)   Cesko-Slovenska Farmacie. Vol. 29, Pg. 106, 1980.
rat LD50 intravenous 245mg/kg (245mg/kg)   Cesko-Slovenska Farmacie. Vol. 29, Pg. 106, 1980.
rat LD50 subcutaneous 155mg/kg (155mg/kg)   Cesko-Slovenska Farmacie. Vol. 29, Pg. 106, 1980.