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Substance Name: 1,4-Benzodioxan-2-carboxylic acid, 3-phenyl-, 2-(2-(diethylamino)ethoxy)ethyl ester, citrate, (E)-
RN: 100447-55-0
InChIKey: YNNGGPDVBSEGQX-UMIAIAFLSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C23-H29-N-O5.C6-H8-O7

Molecular Weight

  • 591.606
 
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Names and Synonyms

  • 1,4-Benzodioxan-2-carboxylic acid, 3-phenyl-, 2-(2-(diethylamino)ethoxy)ethyl ester, citrate, (E)-

Registry Numbers

CAS Registry Number

  • 100447-55-0

System Generated Number

  • 0100447550

Molecular Formulas

Molecular Formula

  • C23-H29-N-O5.C6-H8-O7

Molecular Formula Fragments

  • C23-H29-N-O5
  • C6-H8-O7
  • COMPONENT

Structure Descriptors

InChI

1S/C23H29NO5.C6H8O7/c1-3-24(4-2)14-15-26-16-17-27-23(25)22-21(18-10-6-5-7-11-18)28-19-12-8-9-13-20(19)29-22;7-2-6(4(10)11,5(12)13)1-3(8)9/h5-13,21-22H,3-4,14-17H2,1-2H3;7H,1-2H2,(H,8,9)(H,10,11)(H,12,13)/t21-,22+;/m0./s1

InChIKey

YNNGGPDVBSEGQX-UMIAIAFLSA-N

Smiles

c1([C@H]2[C@@H](Oc3c(O2)cccc3)C(OCCOCC[NH+](CC)CC)=O)ccccc1.C(CC(=O)[O-])(C(O)=O)(C(O)=O)CO

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 200mg/kg (200mg/kg)   Farmaco, Edizione Scientifica. Vol. 36, Pg. 932, 1981.