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Details

Stereochemistry ABSOLUTE
Molecular Formula C17H17NOS
Molecular Weight 283.388
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of N-DESMETHYLDULOXETINE

SMILES

NCC[C@H](OC1=C2C=CC=CC2=CC=C1)C3=CC=CS3

InChI

InChIKey=ZMXLKLOJDLMZFC-INIZCTEOSA-N
InChI=1S/C17H17NOS/c18-11-10-16(17-9-4-12-20-17)19-15-8-3-6-13-5-1-2-7-14(13)15/h1-9,12,16H,10-11,18H2/t16-/m0/s1

HIDE SMILES / InChI

Molecular Formula C17H17NOS
Molecular Weight 283.388
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 13:30:04 UTC 2023
Edited
by admin
on Sat Dec 16 13:30:04 UTC 2023
Record UNII
6B3S58SVQ2
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
N-DESMETHYLDULOXETINE
Common Name English
(.GAMMA.S)-.GAMMA.-(1-NAPHTHALENYLOXY)-2-THIOPHENEPROPANAMINE
Systematic Name English
2-THIOPHENEPROPANAMINE, .GAMMA.-(1-NAPHTHALENYLOXY)-, (S)-
Systematic Name English
Code System Code Type Description
FDA UNII
6B3S58SVQ2
Created by admin on Sat Dec 16 13:30:05 UTC 2023 , Edited by admin on Sat Dec 16 13:30:05 UTC 2023
PRIMARY
PUBCHEM
10107888
Created by admin on Sat Dec 16 13:30:05 UTC 2023 , Edited by admin on Sat Dec 16 13:30:05 UTC 2023
PRIMARY
CAS
178273-35-3
Created by admin on Sat Dec 16 13:30:05 UTC 2023 , Edited by admin on Sat Dec 16 13:30:05 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE
Elimination half-life 11-16 hours. 72% oral excreted inurine and 15% in feces.
URINE