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Substance Name: 2-(2-(Chloroethyl)amino)ethyl dehydroabietate
RN: 40713-31-3
InChIKey: JEWBEXMTJIVLDE-HQROKSDRSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C24-H36-Cl-N-O2.Cl-H

Molecular Weight

  • 442.4673
 
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Names and Synonyms

Results Name

  • 2-(2-(Chloroethyl)amino)ethyl dehydroabietate

Synonyms

  • 2-Chloroethylaminoethyl dehydroabietate hydrochloride
  • Abietic acid, dehydro-, 2-(2-(chloroethyl)amino)ethyl ester

Systematic Name

  • Podocarpa-8,11,13-trien-15-oic acid, 13-isopropyl-, 2-((2-chloroethyl)amino)ethyl ester, hydrochloride

Registry Numbers

CAS Registry Number

  • 40713-31-3

System Generated Number

  • 0040713313

Molecular Formulas

Molecular Formula

  • C24-H36-Cl-N-O2.Cl-H

Molecular Formula Fragments

  • C24-H36-Cl-N-O2
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C24H36ClNO2.ClH/c1-17(2)18-6-8-20-19(16-18)7-9-21-23(20,3)10-5-11-24(21,22(27)28-4)12-14-26-15-13-25;/h6,8,16-17,21,26H,5,7,9-15H2,1-4H3;1H/t21-,23-,24+;/m0./s1

InChIKey

JEWBEXMTJIVLDE-HQROKSDRSA-N

Smiles

CC(C)c1ccc2c(c1)CC[C@H]3[C@]2(CCC[C@]3(CCNCCCl)C(=O)OC)C.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 400mg/kg (400mg/kg)   Pharmaceutical Chemistry Journal Vol. 6, Pg. 647, 1972.
rat LD50 intraperitoneal 400mg/kg (400mg/kg)   Pharmaceutical Chemistry Journal Vol. 6, Pg. 647, 1972.