ECGONINE ETHYL ESTER

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C11H19NO3
Molecular Weight	213.2735
Optical Activity	UNSPECIFIED
Defined Stereocenters	4 / 4
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

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

InChI

InChIKey=ABDMBNAKYBUEEX-QCLAVDOMSA-N

InChI=1S/C11H19NO3/c1-3-15-11(14)10-8-5-4-7(12(8)2)6-9(10)13/h7-10,13H,3-6H2,1-2H3/t7-,8+,9-,10+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C11H19NO3
Molecular Weight	213.2735
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	4 / 4
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

PubMed

Title	Date	PubMed
Simultaneous analyses of cocaine, cocaethylene, and their possible metabolic and pyrolytic products.	2006 Feb 10	16428007
Simultaneous liquid chromatography-mass spectrometry quantification of urinary opiates, cocaine, and metabolites in opiate-dependent pregnant women in methadone-maintenance treatment.	2010 Jan-Feb	20109298

Patents

Substance Class	Chemical Created by `admin` on `Fri Dec 15 15:43:48 GMT 2023` Edited by `admin` on `Fri Dec 15 15:43:48 GMT 2023`
Record UNII	WTI50ROZ5V
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

ECGONINE ETHYL ESTER

Common Name

English

8-AZABICYCLO(3.2.1)OCTANE-2-CARBOXYLIC ACID, 3-HYDROXY-8-METHYL-, ETHYL ESTER, (1R,2R,3S,5S)-

Systematic Name

English

ETHYL ECGONINE

Common Name

English

8-AZABICYCLO(3.2.1)OCTANE-2-CARBOXYLIC ACID, 3-HYDROXY-8-METHYL-, ETHYL ESTER, (1R-(EXO,EXO))-

Systematic Name

English

ETHYLECGONINE

Common Name

English

J472.695B

Code

English

Code System Code Type Description

FDA UNII

WTI50ROZ5V

Created by admin on Fri Dec 15 15:43:48 GMT 2023 , Edited by admin on Fri Dec 15 15:43:48 GMT 2023

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CAS

70939-97-8

Created by admin on Fri Dec 15 15:43:48 GMT 2023 , Edited by admin on Fri Dec 15 15:43:48 GMT 2023

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EPA CompTox

DTXSID30991235

Created by admin on Fri Dec 15 15:43:48 GMT 2023 , Edited by admin on Fri Dec 15 15:43:48 GMT 2023

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PUBCHEM

18656861

Created by admin on Fri Dec 15 15:43:48 GMT 2023 , Edited by admin on Fri Dec 15 15:43:48 GMT 2023

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