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Substance Name: Atropic acid, 2'-chloro-, 3-tropanyl ester, hydrochloride
RN: 64048-73-3
InChIKey: ZQEHLMSPKOCPPS-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

  • 2'-Chloroatropic acid, 3-tropanyl ester, hydrochloride
  • 3-Tropanyl 2'-chloroatropate hydrochloride

Systematic Name

  • Atropic acid, 2'-chloro-, 3-tropanyl ester, hydrochloride

Registry Numbers

CAS Registry Number

  • 64048-73-3

System Generated Number

  • 0064048733

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

InChIKey

ZQEHLMSPKOCPPS-UHFFFAOYSA-N

Smiles

c1(C(C(OC2C[C@@H]3[NH+](C)[C@@H](C2)CC3)=O)=C)c(cccc1)Cl.[ClH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LDLo oral 512mg/kg (512mg/kg)   Journal of Medicinal Chemistry. Vol. 12, Pg. 477, 1969.