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Substance Name: Benzoic acid, o-iodo-, 3-(2'-methylpiperidino)propyl ester
RN: 63916-88-1
InChIKey: CYJRWJOMFVGVDK-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H22-I-N-O2

Molecular Weight

  • 387.255
 
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Names and Synonyms

Synonym

  • 3-(2'-Methylpiperidino)propyl o-iodobenzoate

Systematic Name

  • Benzoic acid, o-iodo-, 3-(2'-methylpiperidino)propyl ester

Registry Numbers

CAS Registry Number

  • 63916-88-1

System Generated Number

  • 0063916881

Structure Descriptors

InChI

1S/C16H22INO2/c1-13-7-4-5-10-18(13)11-6-12-20-16(19)14-8-2-3-9-15(14)17/h2-3,8-9,13H,4-7,10-12H2,1H3

InChIKey

CYJRWJOMFVGVDK-UHFFFAOYSA-N

Smiles

c1(c(cccc1)I)C(OCCC[N@@]1[C@@H](CCCC1)C)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 23mg/kg (23mg/kg)   Record of Chemical Progress. Vol. 15, Pg. 143, 1954.