Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Bopindolol malonate [JAN]
RN: 82857-38-3
UNII: S3UWR70991
InChIKey: LDOONRJGLKHGJI-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C23-H28-N2-O3.C3-H4-O4

Molecular Weight

  • 484.5458
 
* denotes mobile formatted website

Links to Resources


Search for this InChIKey on the Web

Names and Synonyms

Name of Substance

  • Bopindolol malonate
  • Bopindolol malonate [JAN]

Synonyms

  • 2-Propanol, 1-((1,1-dimethylethyl)amino)-1-((2-methyl-1H-indol-4-yl)oxy)-, benzoate (ester), (+-)-, propanedioate (1:1) (salt)
  • 2-Propanol, 1-((1,1-dimethylethyl)amino)-3-((2-methyl-1H-indol-4-yl)oxy)-, benzoate (ester), propanedioate (1:1)(salt)
  • Bopindolol hydrogen malonate
  • LT 31-200
  • UNII-S3UWR70991
  • Wandonorm

Systematic Names

  • Propanedioic acid, compd. with (+-)-2-((1,1-dimethylethyl)amino)-1-(((2-methyl-1H-indol-4-yl)oxy)methyl)ethyl benzoate (1:1)
  • Propanedioic acid, compd. with 2-((1,1-dimethylethyl)amino)-1-(((2-methyl-1H-indol-4-yl)oxy)methyl)ethyl benzoate (1:1)

Registry Numbers

CAS Registry Number

  • 82857-38-3

FDA UNII

  • S3UWR70991

System Generated Number

  • 0082857383

Molecular Formulas

Molecular Formula

  • C23-H28-N2-O3.C3-H4-O4

Molecular Formula Fragments

  • C23-H28-N2-O3
  • C3-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C23H28N2O3.C3H4O4/c1-16-13-19-20(25-16)11-8-12-21(19)27-15-18(14-24-23(2,3)4)28-22(26)17-9-6-5-7-10-17;4-2(5)1-3(6)7/h5-13,18,24-25H,14-15H2,1-4H3;1H2,(H,4,5)(H,6,7)

InChIKey

LDOONRJGLKHGJI-UHFFFAOYSA-N

Smiles

Cc1cc2c([nH]1)cccc2OCC(CNC(C)(C)C)OC(=O)c3ccccc3.C(C(=O)O)C(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 228mg/kg (228mg/kg)   Drugs in Japan Vol. -, Pg. 1293, 1995.
rabbit LD50 oral 318mg/kg (318mg/kg)   Drugs in Japan Vol. -, Pg. 1293, 1995.
rat LD50 intravenous 9200ug/kg (9.2mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

SENSE ORGANS AND SPECIAL SENSES: MYDRIASIS (PUPILLARY DILATION): EYE

LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES
Kiso to Rinsho. Clinical Report. Vol. 23, Pg. 4369, 1989.
rat LD50 oral 824mg/kg (824mg/kg) GASTROINTESTINAL: ULCERATION OR BLEEDING FROM STOMACH

SENSE ORGANS AND SPECIAL SENSES: PTOSIS: EYE

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD
Kiso to Rinsho. Clinical Report. Vol. 23, Pg. 4369, 1989.
rat LD50 subcutaneous 481mg/kg (481mg/kg) LUNGS, THORAX, OR RESPIRATION: CYANOSIS

BEHAVIORAL: ATAXIA

SKIN AND APPENDAGES (SKIN): HAIR: OTHER
Kiso to Rinsho. Clinical Report. Vol. 23, Pg. 4369, 1989.