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(-)-Anhydroecgonine methyl ester

(-)-Anhydroecgonine methyl ester structure

(-)-Anhydroecgonine methyl ester 

structure
  • CAS No:

    43021-26-7

  • Formula:

    C10H15NO2

  • Chemical Name:

    (-)-Anhydroecgonine methyl ester

  • Synonyms:

    8-Azabicyclo[3.2.1]oct-2-ene-2-carboxylic acid,8-methyl-,methyl ester,(1R,5S)-;8-Azabicyclo[3.2.1]oct-2-ene-2-carboxylic acid,8-methyl-,methyl ester,(1R)-;(-)-Anhydroecgonine methyl ester;Ecgonidine methyl ester;Methyl ecgonidine;(R)-(-)-Anhydroecgonine methyl ester;Anhydroecgonine methyl ester;EDME;2055733-80-5

  • Categories:

    Analytical Chemistry  >  Standard

Description

Clear Colorless Oil

(-)-Anhydroecgonine methyl ester Basic Attributes

181.23

181.23

58C337KP3E

DTXSID20276220

Characteristics

29.5

1.1

1.112±0.06 g/cm3(Predicted)

124-126 °C @ Press: 10 Torr

2℃

−20°C

Safety Information

UN 1544 6.1/PG 2

3

26/27/28-43-36-20/21/22-11

22-36/37/39-45-36/37-26-16

T+,Xn,F

P260, P261, P262, P264, P270, P271, P272, P280, P284, P301+P310, P302+P350, P302+P352, P304+P340, P310, P320, P321, P322, P330, P333+P313, P361, P363, P403+P233, P405, P501

H300

|Danger|H300 (100%): Fatal if swallowed [Danger Acute toxicity, oral]|P260, P261, P262, P264, P270, P271, P272, P280, P284, P301+P310, P302+P350, P302+P352, P304+P340, P310, P320, P321, P322, P330, P333+P313, P361, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 38 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

anhydroecgonine methyl ester

(-)-Anhydroecgonine methyl ester Use and Manufacturing

A metabolite of Cocaine (COC). It is a pyrolysis product formed when crack cocaine is smoked, making this substance a useful biomarker to specifically test for use of crack cocaine, as opposed to powder cocaine which does not form methylecgonidine as a metabolite.Controlled substance in some countries.

Computed Properties

Molecular Weight:181.23
XLogP3:1.1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:181.110278721
Monoisotopic Mass:181.110278721
Topological Polar Surface Area:29.5
Heavy Atom Count:13
Complexity:260
Defined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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