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Substance Name: Benzilic acid, diisopropylaminomethyl ester, hydrochloride
RN: 63991-45-7
InChIKey: LKQDDAOEOHXUIL-UHFFFAOYSA-N

Molecular Formula

  • C21-H27-N-O3.Cl-H

Molecular Weight

  • 377.909
 
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Names and Synonyms

  • Benzilic acid, diisopropylaminomethyl ester, hydrochloride

Registry Numbers

CAS Registry Number

  • 63991-45-7

System Generated Number

  • 0063991457

Molecular Formulas

Molecular Formula

  • C21-H27-N-O3.Cl-H

Molecular Formula Fragments

  • C21-H27-N-O3
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C21H27NO3.ClH/c1-16(2)22(17(3)4)15-25-20(23)21(24,18-11-7-5-8-12-18)19-13-9-6-10-14-19;/h5-14,16-17,24H,15H2,1-4H3;1H

InChIKey

LKQDDAOEOHXUIL-UHFFFAOYSA-N

Smiles

C(C(OCN(C(C)C)C(C)C)=O)(c1ccccc1)(c1ccccc1)O.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 155mg/kg (155mg/kg)   British Journal of Pharmacology and Chemotherapy. Vol. 1, Pg. 90, 1946.
mouse LD50 intravenous 28mg/kg (28mg/kg)   British Journal of Pharmacology and Chemotherapy. Vol. 1, Pg. 90, 1946.