U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C16H9NO3
Molecular Weight 263.2476
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1-NITROPYRENE-6-OL

SMILES

OC1=CC=C2C=CC3=C(C=CC4=CC=C1C2=C34)[N+]([O-])=O

InChI

InChIKey=MAVZUIFIVMZYMX-UHFFFAOYSA-N
InChI=1S/C16H9NO3/c18-14-8-4-10-1-5-11-13(17(19)20)7-3-9-2-6-12(14)16(10)15(9)11/h1-8,18H

HIDE SMILES / InChI

Molecular Formula C16H9NO3
Molecular Weight 263.2476
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 08:13:26 UTC 2023
Edited
by admin
on Sat Dec 16 08:13:26 UTC 2023
Record UNII
2W8PM9YHGL
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1-NITROPYRENE-6-OL
Systematic Name English
1-PYRENOL, 6-NITRO-
Systematic Name English
6-NITRO-1-PYRENOL
Systematic Name English
1-NITRO-6-HYDROXYPYRENE
Systematic Name English
Code System Code Type Description
PUBCHEM
104988
Created by admin on Sat Dec 16 08:13:26 UTC 2023 , Edited by admin on Sat Dec 16 08:13:26 UTC 2023
PRIMARY
FDA UNII
2W8PM9YHGL
Created by admin on Sat Dec 16 08:13:26 UTC 2023 , Edited by admin on Sat Dec 16 08:13:26 UTC 2023
PRIMARY
CAS
1767-28-8
Created by admin on Sat Dec 16 08:13:26 UTC 2023 , Edited by admin on Sat Dec 16 08:13:26 UTC 2023
PRIMARY
EPA CompTox
DTXSID50912987
Created by admin on Sat Dec 16 08:13:26 UTC 2023 , Edited by admin on Sat Dec 16 08:13:26 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE
in rat liver