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Substance Name: Benzoic acid, p-iodo-, 3-(2'-methylpiperidino)propyl ester
RN: 63916-89-2
InChIKey: BLAAWVPMHICNCQ-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 p-iodobenzoate

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 63916-89-2

System Generated Number

  • 0063916892

Structure Descriptors

InChI

1S/C16H22INO2/c1-13-5-2-3-10-18(13)11-4-12-20-16(19)14-6-8-15(17)9-7-14/h6-9,13H,2-5,10-12H2,1H3

InChIKey

BLAAWVPMHICNCQ-UHFFFAOYSA-N

Smiles

c1(C(OCCC[N@@]2[C@@H](CCCC2)C)=O)ccc(I)cc1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 48mg/kg (48mg/kg)   Record of Chemical Progress. Vol. 15, Pg. 143, 1954.