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Substance Name: 2-Propenimidamide, N-(2-(diethylamino)ethyl)-3-(4-propoxyphenyl)-, hydrochloride, hydrate, (E), (1:2:2)
RN: 125575-18-0
InChIKey: KTKOPUIODXPACI-ANOGCNOSSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C18-H29-N3-O.2Cl-H.2H2-O

Molecular Weight

  • 376.3689
 
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Names and Synonyms

Synonyms

  • (E)-N-(2-(Diethylamino)ethyl)-3-(4-propoxyphenyl)-2-propenimidamide dihydrochloride 2H2O
  • Dichlorure de N-(diethylamino-2 ethyl)propoxy-4 cinnamamidinium dihydrate
  • Dichlorure de N-(diethylamino-2 ethyl)propoxy-4 cinnamamidinium dihydrate [French]
  • RTECS UI3598000

Systematic Name

  • 2-Propenimidamide, N-(2-(diethylamino)ethyl)-3-(4-propoxyphenyl)-, hydrochloride, hydrate, (E), (1:2:2)

Registry Numbers

CAS Registry Number

  • 125575-18-0

System Generated Number

  • 0125575180

Molecular Formulas

Molecular Formula

  • C18-H29-N3-O.2Cl-H.2H2-O

Molecular Formula Fragments

  • C18-H29-N3-O
  • Cl-H
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C18H29N3O.2ClH/c1-4-15-22-17-10-7-16(8-11-17)9-12-18(19)20-13-14-21(5-2)6-3;;/h7-12H,4-6,13-15H2,1-3H3,(H2,19,20);2*1H/b12-9+;;

InChIKey

KTKOPUIODXPACI-ANOGCNOSSA-N

Smiles

CCCOc1ccc(cc1)/C=C/C(=N)NCCN(CC)CC.Cl.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 185mg/kg (185mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 24, Pg. 427, 1989.