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Substance Name: Bendacalol mesylate [USAN]
RN: 81737-62-4
UNII: 5KP3ZO1VLL
InChIKey: TWESTNYMJIMXRF-AIMMJYJASA-N

Classification Codes

  • Antihypertensive
  • Drug / Therapeutic Agent

Molecular Formula

  • C20-H23-N-O6.C-H4-O3-S

Molecular Weight

  • 469.5083
 
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Names and Synonyms

Name of Substance

  • Bendacalol mesylate [USAN]
  • CGS 10078B

Synonyms

  • (alphaR,alpha'S,2S,2'R)-alpha,alpha'-(Iminodimethylene)bis(1,4-benzodioxan-2-methanol)methanesulfonate (salt)
  • 1,4-Benzodioxin-2-methanol, alpha,alpha'-(iminobis(methylene))bis(2,3-dihydro-, (2R*(S*(R*(S*))))-, methanesulfonate (salt)
  • Bendacalol mesylate
  • CGS 10078B
  • UNII-5KP3ZO1VLL

Systematic Names

  • 1,4-Benzodioxin-2-methanol, alpha,alpha'-(iminobis(methylene))bis(2,3-dihydro-, (2R*(S*(R*(S*))))-, methanesulfonate (salt)
  • 1,4-Benzodioxin-2-methanol, alpha,alpha'-(iminobis(methylene))bis(2,3-dihydro-, (2R-(2R*(alpha-S*(alpha'R*(2'S*)))))-, methanesulfonate (salt)
  • 1,4-Benzodioxin-2-methanol, alpha,alpha'-(iminobis(methylene))bis(2,3-dihydro-, stereoisomer, methanesulfonate (salt)

Registry Numbers

CAS Registry Number

  • 81737-62-4

FDA UNII

  • 5KP3ZO1VLL

System Generated Number

  • 0081737624

Molecular Formulas

Molecular Formula

  • C20-H23-N-O6.C-H4-O3-S

Molecular Formula Fragments

  • C-H4-O3-S
  • C20-H23-N-O6
  • COMPONENT

Structure Descriptors

InChI

1S/C20H23NO6.CH4O3S/c22-13(19-11-24-15-5-1-3-7-17(15)26-19)9-21-10-14(23)20-12-25-16-6-2-4-8-18(16)27-20;1-5(2,3)4/h1-8,13-14,19-23H,9-12H2;1H3,(H,2,3,4)/t13-,14+,19+,20-;

InChIKey

TWESTNYMJIMXRF-AIMMJYJASA-N

Smiles

CS(=O)(=O)O.O[C@H](CNC[C@H](O)[C@H]1COc2ccccc2O1)[C@@H]3COc4ccccc4O3

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
dog LD oral > 943mg/kg (943mg/kg) BEHAVIORAL: ATAXIA

GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA"

BEHAVIORAL: TREMOR
New Cardiovascular Drugs. Vol. 3, Pg. 121, 1985.
monkey LD oral > 1257mg/kg (1257mg/kg) GASTROINTESTINAL: CHANGES IN STRUCTURE OR FUNCTION OF SALIVARY GLANDS

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

SENSE ORGANS AND SPECIAL SENSES: PTOSIS: EYE
New Cardiovascular Drugs. Vol. 3, Pg. 121, 1985.
mouse LD50 oral > 6287mg/kg (6287mg/kg)   New Cardiovascular Drugs. Vol. 3, Pg. 121, 1985.
rat LD50 oral 4490mg/kg (4490mg/kg)   New Cardiovascular Drugs. Vol. 3, Pg. 121, 1985.