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Substance Name: 12-Hydroxyabietic acid bis(2-chloroethyl)amine
RN: 38234-12-7
InChIKey: KBUBXXVKSNRYFK-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C20-H30-O3.C4-H9-Cl2-N

Molecular Weight

  • 460.4821
 
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Names and Synonyms

Results Name

  • 12-Hydroxyabietic acid bis(2-chloroethyl)amine

Synonyms

  • 12-Hydroxyabietic acid bis(2-chloroethyl)amine
  • Abietic acid, 12-hydroxy-, bis(2-chloroethyl)amine salt

Systematic Name

  • Podocarpa-7,13-dien-15-oic acid, 12-hydroxy-13-isopropyl-, bis(2-chloroethyl)amine salt

Registry Numbers

CAS Registry Number

  • 38234-12-7

System Generated Number

  • 0038234127

Molecular Formulas

Molecular Formula

  • C20-H30-O3.C4-H9-Cl2-N

Molecular Formula Fragments

  • C20-H30-O3
  • C4-H9-Cl2-N
  • COMPONENT

Structure Descriptors

InChI

1S/C20H30O3.C4H9Cl2N/c1-12(2)15-10-13-7-8-16-14(19(22)23-4)6-5-9-20(16,3)17(13)11-18(15)21;5-1-3-7-4-2-6/h7,10,12,14,16-18,21H,5-6,8-9,11H2,1-4H3;7H,1-4H2

InChIKey

KBUBXXVKSNRYFK-UHFFFAOYSA-N

Smiles

CC(C)C1=CC2=CCC3C(CCCC3(C2CC1O)C)C(=O)OC.C(CCl)NCCCl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 300mg/kg (300mg/kg)   Pharmaceutical Chemistry Journal Vol. 6, Pg. 647, 1972.
rat LD50 intraperitoneal 200mg/kg (200mg/kg)   Pharmaceutical Chemistry Journal Vol. 6, Pg. 647, 1972.