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Substance Name: O-(alpha-Chlorodiphenylacetyl)ecgonine methyl ester hydrochloride monohydrate
RN: 102432-84-8
InChIKey: FPZGLAGXEDKMDO-VWENQONMSA-N

Molecular Formula

  • C24-H26-Cl-N-O4.Cl-H.H2-O

Molecular Weight

  • 482.4011
 
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Names and Synonyms

Results Name

  • O-(alpha-Chlorodiphenylacetyl)ecgonine methyl ester hydrochloride monohydrate

Synonym

  • O-(alpha-Chlorodiphenylacetyl)ecgonine methyl ester hydrochloride monohydrate

Systematic Name

  • 1-alpha-H,5-alpha-H-Tropane-2-beta-carboxylic acid, 3-beta-hydroxy-, methyl ester, 2-chloro-2,2-diphenylacetate (ester), hydrochloride, monohydrate

Registry Numbers

CAS Registry Number

  • 102432-84-8

System Generated Number

  • 0102432848

Molecular Formulas

Molecular Formula

  • C24-H26-Cl-N-O4.Cl-H.H2-O

Molecular Formula Fragments

  • C24-H26-Cl-N-O4
  • Cl-H
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C24H26ClNO4.ClH.H2O/c1-26-18-13-14-19(26)21(22(27)29-2)20(15-18)30-23(28)24(25,16-9-5-3-6-10-16)17-11-7-4-8-12-17;;/h3-12,18-21H,13-15H2,1-2H3;1H;1H2/t18-,19+,20-,21+;;/m1../s1

InChIKey

FPZGLAGXEDKMDO-VWENQONMSA-N

Smiles

CN1[C@@H]2CC[C@H]1[C@@H]([C@@H](C2)OC(=O)C(c3ccccc3)(c4ccccc4)Cl)C(=O)OC.O.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 18mg/kg (18mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#11780,