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Substance Name: 1,2-Ethanediamine, N,N'-bis(4,5-dihydro-5-methyl-2-thiazolyl)-N-(2-((4,5-dihydro-5-methyl-2-thiazolyl)amino)ethyl)-, trihydrochloride, trihydrate
RN: 111915-71-0
InChIKey: KBHNGEJCPLPCGU-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H28-N6-S3.3Cl-H.3H2-O

Molecular Weight

  • 510.0199
 
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Names and Synonyms

Synonym

  • N,N',N''-Tris(5-methyl-delta(sup 2)-thiazolin-2-yl)diethylenetriamine trihydrochloride 3H2O

Systematic Name

  • 1,2-Ethanediamine, N,N'-bis(4,5-dihydro-5-methyl-2-thiazolyl)-N-(2-((4,5-dihydro-5-methyl-2-thiazolyl)amino)ethyl)-, trihydrochloride, trihydrate

Registry Numbers

CAS Registry Number

  • 111915-71-0

System Generated Number

  • 0111915710

Molecular Formulas

Molecular Formula

  • C16-H28-N6-S3.3Cl-H.3H2-O

Molecular Formula Fragments

  • C16-H28-N6-S3
  • Cl-H
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C16H28N6S3.3ClH/c1-11-8-19-14(23-11)17-4-6-22(16-21-10-13(3)25-16)7-5-18-15-20-9-12(2)24-15;;;/h11-13H,4-10H2,1-3H3,(H,17,19)(H,18,20);3*1H

InChIKey

KBHNGEJCPLPCGU-UHFFFAOYSA-N

Smiles

CC1CN=C(S1)NCCN(CCNC2=NCC(S2)C)C3=NCC(S3)C.Cl.Cl.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 84mg/kg (84mg/kg)   Pharmaceutical Chemistry Journal Vol. 21, Pg. 210, 1987.