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Substance Name: Ecgonine
RN: 481-37-8
UNII: DX2E9E17AV
InChIKey: PHMBVCPLDPDESM-FKSUSPILSA-N

Molecular Formula

  • C9-H15-N-O3

Molecular Weight

  • 185.2215
 

Classification Codes

Classification Codes

  • Analgesics
  • Central Nervous System Agents
  • Central Nervous System Depressants
  • Narcotics
  • Peripheral Nervous System Agents
  • Sensory System Agents

Superlist Classification Code

  • DEA Schedule II
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Names and Synonyms

Name of Substance

  • Ecgonine

Synonyms

  • (-)-Ecgonine
  • 1-Ecgonine
  • 8-Azabicyclo(3.2.1)octane-2-carboxylic acid, 3-hydroxy-8-methyl-, (1R-(exo,exo))-
  • Ecgonine
  • EINECS 207-565-4
  • UNII-DX2E9E17AV

Systematic Names

  • 1alphaH,5alphaH-Tropane-2beta-carboxylic acid, 3-beta-hydroxy-
  • 3beta-Hydroxy-2beta-tropanecarboxylic acid
  • 8-Azabicyclo(3.2.1)octane-2-carboxylic acid, 3-hydroxy-8-methyl-, (1R,2R,3S,5S)-
  • Ecgonine

Superlist Names

  • Cocaine precusor in Coca leaves
  • DEA No. 9180
  • Ecgonine

Registry Numbers

CAS Registry Number

  • 481-37-8

FDA UNII

  • DX2E9E17AV

Related Registry Number

  • 5796-31-6 (hydrochloride)

System Generated Number

  • 0000481378

Structure Descriptors

InChI

1S/C9H15NO3/c1-10-5-2-3-6(10)8(9(12)13)7(11)4-5/h5-8,11H,2-4H2,1H3,(H,12,13)/t5-,6+,7-,8+/m0/s1

InChIKey

PHMBVCPLDPDESM-FKSUSPILSA-N

Smiles

CN1[C@H]2CC[C@@H]1[C@H]([C@H](C2)O)C(=O)O

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 205 deg C   EXP
log P (octanol-water) -3.780 (none)   EST
Water Solubility 1.78E+05 mg/L   EXP
Atmospheric OH Rate Constant 5.86E-11 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.