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Details

Stereochemistry ACHIRAL
Molecular Formula C12H19N5O4S
Molecular Weight 329.375
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of N-nitroso-desmethyl-ranitidine

SMILES

CN\C(NCCSCC1=CC=C(CN(C)N=O)O1)=C/[N+]([O-])=O

InChI

InChIKey=QKZPWYWIGNQSMX-XYOKQWHBSA-N
InChI=1S/C12H19N5O4S/c1-13-12(8-17(19)20)14-5-6-22-9-11-4-3-10(21-11)7-16(2)15-18/h3-4,8,13-14H,5-7,9H2,1-2H3/b12-8+

HIDE SMILES / InChI

Molecular Formula C12H19N5O4S
Molecular Weight 329.375
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 1
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 18:14:23 GMT 2025
Edited
by admin
on Wed Apr 02 18:14:23 GMT 2025
Record UNII
6S7755L9N3
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
N-nitroso-desmethyl-ranitidine
Preferred Name English
Code System Code Type Description
PUBCHEM
171390040
Created by admin on Wed Apr 02 18:14:23 GMT 2025 , Edited by admin on Wed Apr 02 18:14:23 GMT 2025
PRIMARY
FDA UNII
6S7755L9N3
Created by admin on Wed Apr 02 18:14:23 GMT 2025 , Edited by admin on Wed Apr 02 18:14:23 GMT 2025
PRIMARY
Related Record Type Details
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