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Details

Stereochemistry ACHIRAL
Molecular Formula C20H12O
Molecular Weight 268.3087
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 5-HYDROXYBENZO(A)PYRENE

SMILES

OC1=CC2=C3C(C=CC4=C3C1=CC5=CC=CC=C45)=CC=C2

InChI

InChIKey=ZQOKZAPJXRMEJW-UHFFFAOYSA-N
InChI=1S/C20H12O/c21-18-11-14-6-3-5-12-8-9-16-15-7-2-1-4-13(15)10-17(18)20(16)19(12)14/h1-11,21H

HIDE SMILES / InChI

Approval Year

Unknown
149124
PubMed

PubMed

TitleDatePubMed
Prediction of estrogen receptor agonists and characterization of associated molecular descriptors by statistical learning methods.
2006-11
Patents

Patents

6248870
1
6294380
2
Name Type Language
5-HYDROXYBENZO(A)PYRENE
Systematic Name English
HYDROXYBENZO(A)PYRENE, 5-
Preferred Name English
Code System Code Type Description
PUBCHEM
32191
Created by admin on Mon Mar 31 19:24:42 GMT 2025 , Edited by admin on Mon Mar 31 19:24:42 GMT 2025
PRIMARY
FDA UNII
CF64SCV84C
Created by admin on Mon Mar 31 19:24:42 GMT 2025 , Edited by admin on Mon Mar 31 19:24:42 GMT 2025
PRIMARY
EPA CompTox
DTXSID10178769
Created by admin on Mon Mar 31 19:24:42 GMT 2025 , Edited by admin on Mon Mar 31 19:24:42 GMT 2025
PRIMARY
CAS
24027-84-7
Created by admin on Mon Mar 31 19:24:42 GMT 2025 , Edited by admin on Mon Mar 31 19:24:42 GMT 2025
PRIMARY
NIH
NCATS
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