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Substance Name: Acetamide, N-(4-(dimethylamino)phenyl)-2-(4-(3-hydroxypropyl)-1-piperazinyl)-, (Z)-2-butenedioate, hydrate (2:4:1)
RN: 118989-81-4
InChIKey: JVKBYUJRBLIBOD-LVEZLNDCSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C34-H56-N8-O4.C16-H16-O16.H2-O

Molecular Weight

  • 552.5774
 
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Names and Synonyms

Synonym

  • N-(4-Dimethylaminophenyl)-2-(4-(3-hydroxypropyl)-1-piperazinyl)acetamide dimaleate hemihydrate

Systematic Name

  • Acetamide, N-(4-(dimethylamino)phenyl)-2-(4-(3-hydroxypropyl)-1-piperazinyl)-, (Z)-2-butenedioate, hydrate (2:4:1)

Registry Numbers

CAS Registry Number

  • 118989-81-4

System Generated Number

  • 0118989814

Molecular Formulas

Molecular Formula

  • C34-H56-N8-O4.C16-H16-O16.H2-O

Molecular Formula Fragments

  • C16-H16-O16
  • C34-H56-N8-O4
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C17H28N4O2.2C4H4O4/c1-19(2)16-6-4-15(5-7-16)18-17(23)14-21-11-9-20(10-12-21)8-3-13-22;2*5-3(6)1-2-4(7)8/h4-7,22H,3,8-14H2,1-2H3,(H,18,23);2*1-2H,(H,5,6)(H,7,8)/b;2*2-1+

InChIKey

JVKBYUJRBLIBOD-LVEZLNDCSA-N

Smiles

CN(c1ccc(cc1)NC(=O)CN2CCN(CC2)CCCO)C.C(=C/C(=O)O)\C(=O)O.C(=C/C(=O)O)\C(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 2894mg/kg (2894mg/kg)   Collection of Czechoslovak Chemical Communications. Vol. 53, Pg. 1820, 1988.