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Details

Stereochemistry MIXED
Molecular Formula C12H17NO3
Molecular Weight 223.2683
Optical Activity UNSPECIFIED
Defined Stereocenters 0 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-ETHYLAMINO-1-(3,4-METHYLENEDIOXYPHENYL)PROPAN-1-OL

SMILES

CCNC(C)C(O)C1=CC2=C(OCO2)C=C1

InChI

InChIKey=OKIDHAMCNUPSCU-UHFFFAOYSA-N
InChI=1S/C12H17NO3/c1-3-13-8(2)12(14)9-4-5-10-11(6-9)16-7-15-10/h4-6,8,12-14H,3,7H2,1-2H3

HIDE SMILES / InChI

Molecular Formula C12H17NO3
Molecular Weight 223.2683
Charge 0
Count
Stereochemistry MIXED
Additional Stereochemistry No
Defined Stereocenters 0 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 10:16:07 UTC 2023
Edited
by admin
on Sat Dec 16 10:16:07 UTC 2023
Record UNII
29HPR92AIB
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-ETHYLAMINO-1-(3,4-METHYLENEDIOXYPHENYL)PROPAN-1-OL
Systematic Name English
.BETA.-OH-MDEA
Common Name English
1-PROPANOL, 2-ETHYLAMINO-1-(3,4-METHYLENEDIOXYPHENYL)-
Systematic Name English
Code System Code Type Description
PUBCHEM
64126570
Created by admin on Sat Dec 16 10:16:07 UTC 2023 , Edited by admin on Sat Dec 16 10:16:07 UTC 2023
PRIMARY
CAS
876488-28-7
Created by admin on Sat Dec 16 10:16:07 UTC 2023 , Edited by admin on Sat Dec 16 10:16:07 UTC 2023
PRIMARY
FDA UNII
29HPR92AIB
Created by admin on Sat Dec 16 10:16:07 UTC 2023 , Edited by admin on Sat Dec 16 10:16:07 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE
abuser A: 19[42*] (23[43*], after hydrolysis) msg/mL; abuser B: 0.25[2.6*] (0.18[2.5*], after hydrolysis) mcg/mL; *diastereomer
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