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Substance Name: Atropic acid, 3'-chloro-, 3-tropanyl ester, hydrochloride
RN: 64048-74-4
InChIKey: NNYJOYIOFGFCFP-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C17-H20-Cl-N-O2.Cl-H

Molecular Weight

  • 342.264
 
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Names and Synonyms

Synonyms

  • 3'-Chloroatropic acid, 3-tropanyl ester, hydrochloride
  • 3-Tropanyl 3'-chloroatropate hydrochloride

Systematic Name

  • Atropic acid, 3'-chloro-, 3-tropanyl ester, hydrochloride

Registry Numbers

CAS Registry Number

  • 64048-74-4

System Generated Number

  • 0064048744

Molecular Formulas

Molecular Formula

  • C17-H20-Cl-N-O2.Cl-H

Molecular Formula Fragments

  • C17-H20-Cl-N-O2
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C17H20ClNO2.ClH/c1-11(12-4-3-5-13(18)8-12)17(20)21-16-9-14-6-7-15(10-16)19(14)2;/h3-5,8,14-16H,1,6-7,9-10H2,2H3;1H

InChIKey

NNYJOYIOFGFCFP-UHFFFAOYSA-N

Smiles

C1(C[C@@H]2[NH+](C)[C@@H](C1)CC2)OC(C(c1cc(ccc1)Cl)=C)=O.[ClH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LDLo oral 135mg/kg (135mg/kg)   Journal of Medicinal Chemistry. Vol. 12, Pg. 477, 1969.