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Substance Name: Hexobendine [USAN:INN:BAN]
RN: 54-03-5
UNII: B6X4SYR93B
InChIKey: KRQAMFQCSAJCRH-UHFFFAOYSA-N

Note

  • A potent vasoactive agent that dilates cerebral and coronary arteries, but slightly constricts femoral arteries, without any effects on heart rate, blood pressure or cardiac output.

Molecular Formula

  • C30-H44-N2-O10

Molecular Weight

  • 592.682
 

Classification Codes

  • Cardiovascular Agents
  • Drug / Therapeutic Agent
  • Vasodilator
  • Vasodilator Agents
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Names and Synonyms

Name of Substance

  • Hexobendine
  • Hexobendine [USAN:INN:BAN]

MeSH Heading

  • Hexobendine

Synonyms

  • 3,3'-(Ethylenebis(methylimino))di-1-propanol 3,4,5-trimethoxybenzoate diester
  • 3,4,5-Trimethoxybenzoic acid, diester with 3,3'-(ethylenebis(methylimino))di-1-propanol
  • 4,7-Dimethyl-4,7-diazadecamethylenbis(3,4,5-trimethoxybenzoat)
  • Benzoic acid, 3,4,5-trimethoxy-, 1,2-ethanediylbis((methylimino)-3,1-propanediyl) ester
  • BRN 2200156
  • Ditrimin
  • Ditrimine
  • Ditrymine
  • EINECS 200-189-1
  • Hexabendin
  • Hexobendina
  • Hexobendina [INN-Spanish]
  • Hexobendine
  • Hexobendinum
  • Hexobendinum [INN-Latin]
  • ST 7090
  • UNII-B6X4SYR93B
  • Ustimon

Systematic Names

  • Benzoic acid, 3,4,5-trimethoxy-, 1,2-ethanediylbis((methylimino)-3,1-propanediyl) ester
  • Benzoic acid, 3,4,5-trimethoxy-, diester with 3,3'-(ethylenebis(methylimino))di-1-propanol
  • Hexobendine

Registry Numbers

CAS Registry Number

  • 54-03-5

FDA UNII

  • B6X4SYR93B

System Generated Number

  • 0000054035

Structure Descriptors

InChI

InChI=1S/C30H44N2O10/c1-31(11-9-15-41-29(33)21-17-23(35-3)27(39-7)24(18-21)36-4)13-14-32(2)12-10-16-42-30(34)22-19-25(37-5)28(40-8)26(20-22)38-6/h17-20H,9-16H2,1-8H3

InChIKey

KRQAMFQCSAJCRH-UHFFFAOYSA-N

Smiles

COc1cc(cc(OC)c1OC)C(=O)OCCCN(C)CCN(C)CCCOC(=O)c2cc(OC)c(OC)c(OC)c2

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 180mg/kg (180mg/kg)   U.S.S.R. Patent Document. Vol. #1018396,
rat LD50 intravenous 34mg/kg (34mg/kg) BEHAVIORAL: ATAXIA

BEHAVIORAL: TREMOR

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD
Polish Journal of Pharmacology and Pharmacy. Vol. 32, Pg. 823, 1980.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 76 deg C   EXP
log P (octanol-water) 2.710 (none)   EST
Atmospheric OH Rate Constant 2.81E-10 cm3/molecule-sec 25 EST

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