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Substance Name: Hexadecanoic acid, 2-(dimethylamino)ethyl ester, (Z)-2-butenedioate (1:1)
RN: 129320-10-1
InChIKey: QPENYGQYDUNXCD-WLHGVMLRSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C20-H41-N-O2.C4-H4-O4

Molecular Weight

  • 443.6205
 
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Names and Synonyms

Synonym

  • 2-(Dimethylamino)ethyl hexadecanoate (Z)-2-butenedioate (1:1)

Systematic Name

  • Hexadecanoic acid, 2-(dimethylamino)ethyl ester, (Z)-2-butenedioate (1:1)

Registry Numbers

CAS Registry Number

  • 129320-10-1

System Generated Number

  • 0129320101

Molecular Formulas

Molecular Formula

  • C20-H41-N-O2.C4-H4-O4

Molecular Formula Fragments

  • C20-H41-N-O2
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C20H41NO2.C4H4O4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(22)23-19-18-21(2)3;5-3(6)1-2-4(7)8/h4-19H2,1-3H3;1-2H,(H,5,6)(H,7,8)/b;2-1+

InChIKey

QPENYGQYDUNXCD-WLHGVMLRSA-N

Smiles

CCCCCCCCCCCCCCCC(=O)OCCN(C)C.C(=C/C(=O)O)\C(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 305mg/kg (305mg/kg)   Collection of Czechoslovak Chemical Communications. Vol. 55, Pg. 1278, 1990.