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Details

Stereochemistry ACHIRAL
Molecular Formula C14H15N2O2
Molecular Weight 243.2811
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 1

SHOW SMILES / InChI
Structure of VR17-04

SMILES

C[N+]1=CC=C(C(=O)NCC2=CC=CC=C2)C(O)=C1

InChI

InChIKey=PSTFMUUIKOEIMY-UHFFFAOYSA-O
InChI=1S/C14H14N2O2/c1-16-8-7-12(13(17)10-16)14(18)15-9-11-5-3-2-4-6-11/h2-8,10H,9H2,1H3,(H-,15,17,18)/p+1

HIDE SMILES / InChI

Molecular Formula C14H15N2O2
Molecular Weight 243.2811
Charge 1
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 19:52:53 UTC 2023
Edited
by admin
on Sat Dec 16 19:52:53 UTC 2023
Record UNII
47LH5FC8FW
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
VR17-04
Code English
Pyridinium, 3-hydroxy-1-methyl-4-[[(phenylmethyl)amino]carbonyl]-
Systematic Name English
VR1704
Code English
3-Hydroxy-1-methyl-4-[[(phenylmethyl)amino]carbonyl]pyridinium
Systematic Name English
Code System Code Type Description
FDA UNII
47LH5FC8FW
Created by admin on Sat Dec 16 19:52:54 UTC 2023 , Edited by admin on Sat Dec 16 19:52:54 UTC 2023
PRIMARY
CAS
2417925-64-3
Created by admin on Sat Dec 16 19:52:54 UTC 2023 , Edited by admin on Sat Dec 16 19:52:54 UTC 2023
PRIMARY
PUBCHEM
167713304
Created by admin on Sat Dec 16 19:52:54 UTC 2023 , Edited by admin on Sat Dec 16 19:52:54 UTC 2023
PRIMARY
Related Record Type Details
IONIC MOIETY
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TARGET ORGANISM->INHIBITOR
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PARENT -> METABOLITE ACTIVE
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ACTIVE MOIETY