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Substance Name: Benzilic acid, 3-(1-methyl-2-pyrrolidinyl)propyl ester
RN: 102476-69-7
InChIKey: CJFOGWRMHWZKCG-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C22-H27-N-O3

Molecular Weight

  • 353.459
 
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Names and Synonyms

Synonyms

  • 2-Pyrrolidinepropanol, 1-methyl-, benzilate
  • 4-21-00-00118 (Beilstein Handbook Reference)
  • BRL 490
  • BRN 0313593

Systematic Name

  • Benzilic acid, 3-(1-methyl-2-pyrrolidinyl)propyl ester

Registry Numbers

CAS Registry Number

  • 102476-69-7

System Generated Number

  • 0102476697

Structure Descriptors

InChI

1S/C22H27NO3/c1-23-16-8-14-20(23)15-9-17-26-21(24)22(25,18-10-4-2-5-11-18)19-12-6-3-7-13-19/h2-7,10-13,20,25H,8-9,14-17H2,1H3

InChIKey

CJFOGWRMHWZKCG-UHFFFAOYSA-N

Smiles

C(c1ccccc1)(c1ccccc1)(C(OCCC[C@@H]1[N@@](CCC1)C)=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 11500ug/kg (11.5mg/kg)   British Journal of Pharmacology and Chemotherapy. Vol. 12, Pg. 447, 1957.