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Details

Stereochemistry ABSOLUTE
Molecular Formula C10H15NO2
Molecular Weight 181.2316
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of METHYL ECGONIDINE

SMILES

COC(=O)C1=CC[C@@H]2CC[C@H]1N2C

InChI

InChIKey=MPSNEAHFGOEKBI-VXNVDRBHSA-N
InChI=1S/C10H15NO2/c1-11-7-3-5-8(10(12)13-2)9(11)6-4-7/h5,7,9H,3-4,6H2,1-2H3/t7-,9-/m1/s1

HIDE SMILES / InChI
Molecular Formula C10H15NO2
Molecular Weight 181.2316
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Unknown
149124
PubMed

PubMed

TitleDatePubMed
Concentration profiles of cocaine, pyrolytic methyl ecgonidine and thirteen metabolites in human blood and urine: determination by gas chromatography-mass spectrometry.
2005 Nov
Patents

Patents

20010004644
50
Substance Class Chemical
Created
by admin
on Mon Mar 31 18:07:38 GMT 2025
Edited
by admin
on Mon Mar 31 18:07:38 GMT 2025
Record UNII
58C337KP3E
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ECGONIDINE METHYL ESTER
MI  
Preferred Name English
METHYL ECGONIDINE
Common Name English
ECGONIDINE METHYL ESTER [MI]
Common Name English
ANHYDROECGONINE-METHYL-ESTER
Common Name English
METHYL-ECGONIDINE
Common Name English
ECGONIDINE-METHYL-ESTER
Common Name English
(-)-ANHYDROECGONINE METHYL ESTER
Common Name English
8-AZABICYCLO(3.2.1)OCT-2-ENE-2-CARBOXYLIC ACID, 8-METHYL-, METHYL ESTER, (1R,5S)-
Common Name English
METHYLECGONIDINE
Common Name English
EDME
Common Name English
METHYLESTERECGONINE
Common Name English
Code System Code Type Description
CAS
43021-26-7
Created by admin on Mon Mar 31 18:07:38 GMT 2025 , Edited by admin on Mon Mar 31 18:07:38 GMT 2025
PRIMARY
PUBCHEM
119478
Created by admin on Mon Mar 31 18:07:38 GMT 2025 , Edited by admin on Mon Mar 31 18:07:38 GMT 2025
PRIMARY
FDA UNII
58C337KP3E
Created by admin on Mon Mar 31 18:07:38 GMT 2025 , Edited by admin on Mon Mar 31 18:07:38 GMT 2025
PRIMARY
WIKIPEDIA
Methylecgonidine
Created by admin on Mon Mar 31 18:07:38 GMT 2025 , Edited by admin on Mon Mar 31 18:07:38 GMT 2025
PRIMARY Methylecgonidine 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.
MERCK INDEX
m4809
Created by admin on Mon Mar 31 18:07:38 GMT 2025 , Edited by admin on Mon Mar 31 18:07:38 GMT 2025
PRIMARY Merck Index
EPA CompTox
DTXSID20276220
Created by admin on Mon Mar 31 18:07:38 GMT 2025 , Edited by admin on Mon Mar 31 18:07:38 GMT 2025
PRIMARY
Related Record Type Details
Structure of ECGONINE
SALT/SOLVATE -> PARENT
Structure of ECGONINE
SALT/SOLVATE -> PARENT
APPROXIMATE PURE ANHYDROUS DRUG CONTENT (IN PERCENT)
Structure of ETHYLMETHYLTHIAMBUTENE HYDROCHLORIDE
SALT/SOLVATE -> PARENT
Related Record Type Details
Structure of ECGONIDINE
METABOLITE -> PARENT
Related Record Type Details
Structure of ECGONIDINE
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