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Substance Name: Benzeneacetic acid, 5-chloro-2-ethoxy-alpha-(1-methylpropyl)-, 1-(1-methylethyl)-3-pyrrolidinyl ester, 2-hydroxy-1,2,3-propanetricarboxylate (1:1)
RN: 42729-64-6
InChIKey: ITTPRAWHROHSLM-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H32-Cl-N-O3.C6-H8-O7

Molecular Weight

  • 574.063
 
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Names and Synonyms

Synonym

  • Citrate du(methyl-3 (chloro-5 ethoxy-2) phenyl-2) pentanoate de N-isopropyl pyrrolidin-3''-yle

Systematic Name

  • Benzeneacetic acid, 5-chloro-2-ethoxy-alpha-(1-methylpropyl)-, 1-(1-methylethyl)-3-pyrrolidinyl ester, 2-hydroxy-1,2,3-propanetricarboxylate (1:1)

Registry Numbers

CAS Registry Number

  • 42729-64-6

System Generated Number

  • 0042729646

Molecular Formulas

Molecular Formula

  • C21-H32-Cl-N-O3.C6-H8-O7

Molecular Formula Fragments

  • C21-H32-Cl-N-O3
  • C6-H8-O7
  • COMPONENT

Structure Descriptors

InChI

1S/C21H32ClNO3.C6H8O7/c1-6-15(5)20(18-12-16(22)8-9-19(18)25-7-2)21(24)26-17-10-11-23(13-17)14(3)4;7-3(8)1-6(13,5(11)12)2-4(9)10/h8-9,12,14-15,17,20H,6-7,10-11,13H2,1-5H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)

InChIKey

ITTPRAWHROHSLM-UHFFFAOYSA-N

Smiles

CCC(C)C(c1cc(ccc1OCC)Cl)C(=O)OC2CCN(C2)C(C)C.C(C(=O)O)C(CC(=O)O)(C(=O)O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 1gm/kg (1000mg/kg)   French Demande Patent Document. Vol. #2154308,