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Substance Name: Bicyclo(4.1.0)heptan-3-ol, 4-(2-(diethylamino)ethoxy)-3,7,7-trimethyl-, (1S-(1-alpha,3-beta,4-alpha,6-alpha))-, 2-hydroxy-1,2,3-propanetricarboxylate (1:1) (salt)
RN: 153222-89-0
InChIKey: WTWXUYFKCREZJM-FNACFVIYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H31-N-O2.C6-H8-O7

Molecular Weight

  • 461.5481
 
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Names and Synonyms

  • Bicyclo(4.1.0)heptan-3-ol, 4-(2-(diethylamino)ethoxy)-3,7,7-trimethyl-, (1S-(1-alpha,3-beta,4-alpha,6-alpha))-, 2-hydroxy-1,2,3-propanetricarboxylate (1:1) (salt)

Registry Numbers

CAS Registry Number

  • 153222-89-0

System Generated Number

  • 0153222890

Molecular Formulas

Molecular Formula

  • C16-H31-N-O2.C6-H8-O7

Molecular Formula Fragments

  • C16-H31-N-O2
  • C6-H8-O7
  • COMPONENT

Structure Descriptors

InChI

1S/C16H31NO2.C6H8O7/c1-6-17(7-2)8-9-19-14-10-12-13(15(12,3)4)11-16(14,5)18;7-3(8)1-6(13,5(11)12)2-4(9)10/h12-14,18H,6-11H2,1-5H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/t12-,13+,14-,16-;/m1./s1

InChIKey

WTWXUYFKCREZJM-FNACFVIYSA-N

Smiles

CCN(CC)CCO[C@@H]1C[C@@H]2[C@@H](C2(C)C)C[C@@]1(C)O.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 100mg/kg (100mg/kg)   Polish Journal of Pharmacology and Pharmacy. Vol. 44, Pg. 187, 1992.