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Substance Name: Ecgonine methyl ester 2,6-dimethylbenzoate
RN: 113186-25-7
UNII: WFK26TP15R
InChIKey: SPCLXCYHEGNTKK-QSJFSLAZSA-N

Molecular Formula

  • C19-H25-N-O4

Molecular Weight

  • 331.4095
 
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Names and Synonyms

Name of Substance

  • Ecgonine methyl ester 2,6-dimethylbenzoate

Synonyms

  • 8-Azabicyclo(3.2.1)octane-2-carboxylic acid, 3-((2,6-dimethylbenzoyl)oxy)-8-methyl-, methyl ester, (1R-(exo,exo))-
  • Ecgonine 2,6-dimethylbenzoylmethylester
  • Ecgonine methyl ester 2,6-dimethylbenzoate
  • Ecgonine methyl ester 2,6-dimethylbenzoate [WHO-DD]
  • Ecgonine, methyl ester, 2,6-dimethylbenzoate
  • UNII-WFK26TP15R

Registry Numbers

CAS Registry Number

  • 113186-25-7

FDA UNII

  • WFK26TP15R

System Generated Number

  • 0113186257

Structure Descriptors

InChI

1S/C19H25NO4/c1-11-6-5-7-12(2)16(11)19(22)24-15-10-13-8-9-14(20(13)3)17(15)18(21)23-4/h5-7,13-15,17H,8-10H2,1-4H3/t13-,14+,15-,17+/m0/s1

InChIKey

SPCLXCYHEGNTKK-QSJFSLAZSA-N

Smiles

COC(=O)[C@H]1[C@H](C[C@@H]2CC[C@H]1N2C)OC(=O)c3c(C)cccc3C