U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C9H13NO2
Molecular Weight 167.205
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ECGONIDINE

SMILES

CN1[C@H]2CC[C@@H]1C(=CC2)C(O)=O

InChI

InChIKey=HZGRVVUQEIBCMS-HTRCEHHLSA-N
InChI=1S/C9H13NO2/c1-10-6-2-4-7(9(11)12)8(10)5-3-6/h4,6,8H,2-3,5H2,1H3,(H,11,12)/t6-,8-/m1/s1

HIDE SMILES / InChI

Molecular Formula C9H13NO2
Molecular Weight 167.205
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

PubMed

PubMed

TitleDatePubMed
Concentration profiles of cocaine, pyrolytic methyl ecgonidine and thirteen metabolites in human blood and urine: determination by gas chromatography-mass spectrometry.
2005-11
Two- and three dimensional combinatorial chemistry from multicomponent Grignard reagents.
2004-07-13
Pharmacokinetics and pharmacodynamics of methylecgonidine, a crack cocaine pyrolyzate.
2003-12
Determination of the dermal penetration of esterom components using microdialysis sampling.
2003-11
Detecting crack and other cocaine use with fastpatches.
2003-06
Studies on in vitro degradation of anhydroecgonine methyl ester (methylecgonidine) in human plasma.
2002-12-28
Examination of postmortem fluids and tissues for the presence of methylecgonidine, ecgonidine, cocaine, and benzoylecgonine using solid-phase extraction and gas chromatography-mass spectrometry.
2001-06
Patents

Patents

Substance Class Chemical
Created
by admin
on Mon Mar 31 18:06:58 GMT 2025
Edited
by admin
on Mon Mar 31 18:06:58 GMT 2025
Record UNII
9H2C60Y82I
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ECGONIDINE
MI  
Common Name English
ECGONIDINE [MI]
Preferred Name English
ECGONIDINE, (-)-
Common Name English
ANHYDROECGONINE
Common Name English
Code System Code Type Description
FDA UNII
9H2C60Y82I
Created by admin on Mon Mar 31 18:06:58 GMT 2025 , Edited by admin on Mon Mar 31 18:06:58 GMT 2025
PRIMARY
CAS
484-93-5
Created by admin on Mon Mar 31 18:06:58 GMT 2025 , Edited by admin on Mon Mar 31 18:06:58 GMT 2025
PRIMARY
PUBCHEM
11564684
Created by admin on Mon Mar 31 18:06:58 GMT 2025 , Edited by admin on Mon Mar 31 18:06:58 GMT 2025
PRIMARY
EPA CompTox
DTXSID60897574
Created by admin on Mon Mar 31 18:06:58 GMT 2025 , Edited by admin on Mon Mar 31 18:06:58 GMT 2025
PRIMARY
MERCK INDEX
m4809
Created by admin on Mon Mar 31 18:06:58 GMT 2025 , Edited by admin on Mon Mar 31 18:06:58 GMT 2025
PRIMARY Merck Index
WIKIPEDIA
ECGONIDINE
Created by admin on Mon Mar 31 18:06:58 GMT 2025 , Edited by admin on Mon Mar 31 18:06:58 GMT 2025
PRIMARY
ECHA (EC/EINECS)
207-610-8
Created by admin on Mon Mar 31 18:06:58 GMT 2025 , Edited by admin on Mon Mar 31 18:06:58 GMT 2025
PRIMARY
Related Record Type Details
PARENT -> METABOLITE