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Details

Stereochemistry ACHIRAL
Molecular Formula C13H12N4O4S
Molecular Weight 320.324
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of N-hydroxy-PhIP sulfate ester

SMILES

CN1C(NOS(O)(=O)=O)=NC2=C1C=C(C=N2)C3=CC=CC=C3

InChI

InChIKey=LPVOGSWZCYNQGE-UHFFFAOYSA-N
InChI=1S/C13H12N4O4S/c1-17-11-7-10(9-5-3-2-4-6-9)8-14-12(11)15-13(17)16-21-22(18,19)20/h2-8H,1H3,(H,14,15,16)(H,18,19,20)

HIDE SMILES / InChI

Molecular Formula C13H12N4O4S
Molecular Weight 320.324
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 19:17:14 GMT 2023
Edited
by admin
on Sat Dec 16 19:17:14 GMT 2023
Record UNII
FP2RS8X767
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
N-hydroxy-PhIP sulfate ester
Common Name English
Sulfuric acid, mono[(1-methyl-6-phenyl-1H-imidazo[4,5-b]pyridin-2-yl)azanyl] ester
Systematic Name English
(1-Methyl-6-phenyl-1H-imidazo[4,5-b]pyridin-2-yl)azanyl hydrogen sulfate
Systematic Name English
Code System Code Type Description
FDA UNII
FP2RS8X767
Created by admin on Sat Dec 16 19:17:14 GMT 2023 , Edited by admin on Sat Dec 16 19:17:14 GMT 2023
PRIMARY
PUBCHEM
71448983
Created by admin on Sat Dec 16 19:17:14 GMT 2023 , Edited by admin on Sat Dec 16 19:17:14 GMT 2023
PRIMARY
CAS
1704713-21-2
Created by admin on Sat Dec 16 19:17:14 GMT 2023 , Edited by admin on Sat Dec 16 19:17:14 GMT 2023
PRIMARY
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