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Substance Name: Bicyclo(4.1.0)heptan-3-one, 2-((2-(diethylamino)ethoxy)methylene)-4,7,7-trimethyl-, (1-alpha,2Z,4-beta,6-alpha)-(+-)-, 2-hydroxy-1,2,3-propanetricarboxylate (1:1) (salt)
RN: 153175-83-8
InChIKey: HROBGEXHPSIVKR-DPLQNWTOSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C17-H29-N-O2.C6-H8-O7

Molecular Weight

  • 471.5433
 
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Names and Synonyms

  • Bicyclo(4.1.0)heptan-3-one, 2-((2-(diethylamino)ethoxy)methylene)-4,7,7-trimethyl-, (1-alpha,2Z,4-beta,6-alpha)-(+-)-, 2-hydroxy-1,2,3-propanetricarboxylate (1:1) (salt)

Registry Numbers

CAS Registry Number

  • 153175-83-8

System Generated Number

  • 0153175838

Molecular Formulas

Molecular Formula

  • C17-H29-N-O2.C6-H8-O7

Molecular Formula Fragments

  • C17-H29-N-O2
  • C6-H8-O7
  • COMPONENT

Structure Descriptors

InChI

1S/C17H29NO2.C6H8O7/c1-6-18(7-2)8-9-20-11-13-15-14(17(15,4)5)10-12(3)16(13)19;7-3(8)1-6(13,5(11)12)2-4(9)10/h11-12,14-15H,6-10H2,1-5H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/b13-11-;/t12-,14+,15-;/m1./s1

InChIKey

HROBGEXHPSIVKR-DPLQNWTOSA-N

Smiles

CCN(CC)CCO/C=C\1/[C@@H]2[C@@H](C2(C)C)C[C@H](C1=O)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 intravenous 75mg/kg (75mg/kg)   Polish Journal of Pharmacology and Pharmacy. Vol. 44, Pg. 187, 1992.