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Substance Name: Borinic acid, diphenyl-, 4-hydroxy-1-methylpentyl ester
RN: 115169-08-9
InChIKey: JNGGDLCNNDFLOW-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C18-H23-B-O2

Molecular Weight

  • 282.1887
 
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Names and Synonyms

Synonym

  • 2-Diphenylboryloxy-5-hydroxyhexane

Systematic Name

  • Borinic acid, diphenyl-, 4-hydroxy-1-methylpentyl ester

Registry Numbers

CAS Registry Number

  • 115169-08-9

System Generated Number

  • 0115169089

Structure Descriptors

InChI

1S/C18H23BO2/c1-15(20)13-14-16(2)21-19(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-12,15-16,20H,13-14H2,1-2H3

InChIKey

JNGGDLCNNDFLOW-UHFFFAOYSA-N

Smiles

B(c1ccccc1)(c2ccccc2)OC(C)CCC(C)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 100mg/kg (100mg/kg)   Pharmaceutical Chemistry Journal Vol. 22, Pg. 314, 1988.