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Details

Stereochemistry ABSOLUTE
Molecular Formula C12H17NO2.ClH
Molecular Weight 243.73
Optical Activity ( + )
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of MDE HYDROCHLORIDE, (S)-

SMILES

Cl.CCN[C@@H](C)CC1=CC2=C(OCO2)C=C1

InChI

InChIKey=IBDIPBWIXJRJQM-FVGYRXGTSA-N
InChI=1S/C12H17NO2.ClH/c1-3-13-9(2)6-10-4-5-11-12(7-10)15-8-14-11;/h4-5,7,9,13H,3,6,8H2,1-2H3;1H/t9-;/m0./s1

HIDE SMILES / InChI

Molecular Formula C12H17NO2
Molecular Weight 207.2689
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Molecular Formula ClH
Molecular Weight 36.461
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

PubMed

PubMed

TitleDatePubMed
Enantioselective quantitation of the ecstasy compound (R)- and (S)-N-ethyl-3,4-methylenedioxyamphetamine and its major metabolites in human plasma and urine.
2003 Aug 15
Substance Class Chemical
Created
by admin
on Sat Dec 16 11:15:18 GMT 2023
Edited
by admin
on Sat Dec 16 11:15:18 GMT 2023
Record UNII
BZ2P21Y2W0
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
MDE HYDROCHLORIDE, (S)-
Common Name English
(S)-N-ETHYL-3,4-METHYLENEDIOXYAMPHETAMINE
Systematic Name English
MDE HYDROCHLORIDE, (+)-
Common Name English
3,4-Methylenedioxy-N-ethylamphetamine hydrochloride, (S)-
Systematic Name English
1,3-BENZODIOXOLE-5-ETHANAMINE, N-ETHYL-.ALPHA.-METHYL-, HYDROCHLORIDE (1:1), (.ALPHA.S)-
Systematic Name English
EVE HYDROCHLORIDE, (S)-
Common Name English
MDEA HYDROCHLORIDE, (S)-
Common Name English
Code System Code Type Description
PUBCHEM
72941752
Created by admin on Sat Dec 16 11:15:18 GMT 2023 , Edited by admin on Sat Dec 16 11:15:18 GMT 2023
PRIMARY
FDA UNII
BZ2P21Y2W0
Created by admin on Sat Dec 16 11:15:18 GMT 2023 , Edited by admin on Sat Dec 16 11:15:18 GMT 2023
PRIMARY
CAS
197787-15-8
Created by admin on Sat Dec 16 11:15:18 GMT 2023 , Edited by admin on Sat Dec 16 11:15:18 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE