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Details

Stereochemistry ABSOLUTE
Molecular Formula C17H16Cl2N2O
Molecular Weight 335.228
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of N-nitroso-sertraline

SMILES

CN(N=O)[C@H]1CC[C@@H](C2=CC=C(Cl)C(Cl)=C2)C3=CC=CC=C13

InChI

InChIKey=JSJQTSRHWMIRDB-SJCJKPOMSA-N
InChI=1S/C17H16Cl2N2O/c1-21(20-22)17-9-7-12(13-4-2-3-5-14(13)17)11-6-8-15(18)16(19)10-11/h2-6,8,10,12,17H,7,9H2,1H3/t12-,17-/m0/s1

HIDE SMILES / InChI

Molecular Formula C17H16Cl2N2O
Molecular Weight 335.228
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 18:20:08 GMT 2025
Edited
by admin
on Wed Apr 02 18:20:08 GMT 2025
Record UNII
KNP7TW7URK
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
N-nitroso-sertraline
Common Name English
1-Naphthalenamine, 4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydro-N-methyl-N-nitroso-, (1S,4S)-
Preferred Name English
Code System Code Type Description
PUBCHEM
171381010
Created by admin on Wed Apr 02 18:20:08 GMT 2025 , Edited by admin on Wed Apr 02 18:20:08 GMT 2025
PRIMARY
FDA UNII
KNP7TW7URK
Created by admin on Wed Apr 02 18:20:08 GMT 2025 , Edited by admin on Wed Apr 02 18:20:08 GMT 2025
PRIMARY
CAS
3006789-98-3
Created by admin on Wed Apr 02 18:20:08 GMT 2025 , Edited by admin on Wed Apr 02 18:20:08 GMT 2025
PRIMARY
Related Record Type Details
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