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Substance Name: 1-Piperazinecarboxylic acid, 4-(3-(dimethylamino)-1-phenylpropyl)-, ethyl ester, (Z)-2-butenedioate (1:2)
RN: 81402-44-0
InChIKey: QBRHJCCFIRGALF-LVEZLNDCSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C18-H29-N3-O2.2C4-H4-O4

Molecular Weight

  • 551.5893
 
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Names and Synonyms

Synonym

  • 1-(3-Dimethylamino-1-phenylpropyl)-4-(ethoxycarbonyl)piperazine bis(hydrogen maleate)

Systematic Name

  • 1-Piperazinecarboxylic acid, 4-(3-(dimethylamino)-1-phenylpropyl)-, ethyl ester, (Z)-2-butenedioate (1:2)

Registry Numbers

CAS Registry Number

  • 81402-44-0

System Generated Number

  • 0081402440

Molecular Formulas

Molecular Formula

  • C18-H29-N3-O2.2C4-H4-O4

Molecular Formula Fragments

  • C18-H29-N3-O2
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C18H29N3O2.2C4H4O4/c1-4-23-18(22)21-14-12-20(13-15-21)17(10-11-19(2)3)16-8-6-5-7-9-16;2*5-3(6)1-2-4(7)8/h5-9,17H,4,10-15H2,1-3H3;2*1-2H,(H,5,6)(H,7,8)/b;2*2-1+

InChIKey

QBRHJCCFIRGALF-LVEZLNDCSA-N

Smiles

CCOC(=O)N1CCN(CC1)C(c2ccccc2)CCN(C)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 intravenous 125mg/kg (125mg/kg)   Collection of Czechoslovak Chemical Communications. Vol. 46, Pg. 2729, 1981.