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Substance Name: Tolboxane [INN:DCF]
RN: 2430-46-8
UNII: 33P8JV23L7
InChIKey: WOZGAFMPOSBQCU-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C14-H21-B-O2

Molecular Weight

  • 232.129
 
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Names and Synonyms

Name of Substance

  • Tolboxane [INN:DCF]

Synonyms

  • 1,3,2-Dioxaborinane, 5-methyl-2-(4-methylphenyl)-5-propyl-
  • 1,3,2-Dioxaborinane, 5-methyl-5-propyl-2-p-tolyl-
  • 2-Methyl-2-propyl-1,3-propanediol-p-methylbenzeneboronate
  • 5-Methyl-5-propyl-2-(p-tolyl)-1,3,2-dioxaborinane
  • BRN 0517400
  • Clarmil
  • Clarphoril
  • Diossoborono
  • IS 813
  • JS 813
  • NSC 169422
  • Tolboxan
  • Tolboxane
  • Tolboxano
  • Tolboxano [INN-Spanish]
  • Tolboxanum
  • Tolboxanum [INN-Latin]
  • UNII-33P8JV23L7

Systematic Names

  • 1,3,2-Dioxaborinane, 5-methyl-2-(4-methylphenyl)-5-propyl- (9CI)
  • 5-Methyl-5-propyl-2-p-tolyl-1,3,2-dioxaborinane
  • p-Tolueneboronic acid, cyclic 2-methyl-2-propyltrimethylene ester

Registry Numbers

CAS Registry Number

  • 2430-46-8

FDA UNII

  • 33P8JV23L7

System Generated Number

  • 0002430468

Structure Descriptors

InChI

1S/C14H21BO2/c1-4-9-14(3)10-16-15(17-11-14)13-7-5-12(2)6-8-13/h5-8H,4,9-11H2,1-3H3

InChIKey

WOZGAFMPOSBQCU-UHFFFAOYSA-N

Smiles

C1OB(OCC1(C)CCC)c1ccc(cc1)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 705mg/kg (705mg/kg)   Therapie. Vol. 15, Pg. 791, 1960.
rat LD50 intraperitoneal 510mg/kg (510mg/kg)   Therapie. Vol. 15, Pg. 791, 1960.