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Details

Stereochemistry ACHIRAL
Molecular Formula C20H12O2
Molecular Weight 284.3081
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BENZO(A)PYRENE-4,5-DIOL

SMILES

OC1=C(O)C2=CC3=CC=CC=C3C4=CC=C5C=CC=C1C5=C24

InChI

InChIKey=AFDHSXYOTGMEAP-UHFFFAOYSA-N
InChI=1S/C20H12O2/c21-19-15-7-3-5-11-8-9-14-13-6-2-1-4-12(13)10-16(20(19)22)18(14)17(11)15/h1-10,21-22H

HIDE SMILES / InChI

Molecular Formula C20H12O2
Molecular Weight 284.3081
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

PubMed

PubMed

TitleDatePubMed
4-Hydroxy-5-oxo-4,5-dihydrobenzo(a)pyrene, a new metabolite of benzo(a)pyrene.
1980
Metabolism and enterohepatic circulation of benzo(a)pyrene-4,5-epoxide in the rat.
1985 Nov
Degradation of benzo[a]pyrene by Mycobacterium vanbaalenii PYR-1.
2004 Jan
Patents

Patents

Substance Class Chemical
Created
by admin
on Fri Dec 15 18:50:03 GMT 2023
Edited
by admin
on Fri Dec 15 18:50:03 GMT 2023
Record UNII
034JMT13X6
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
BENZO(A)PYRENE-4,5-DIOL
Systematic Name English
Code System Code Type Description
PUBCHEM
107727
Created by admin on Fri Dec 15 18:50:03 GMT 2023 , Edited by admin on Fri Dec 15 18:50:03 GMT 2023
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FDA UNII
034JMT13X6
Created by admin on Fri Dec 15 18:50:03 GMT 2023 , Edited by admin on Fri Dec 15 18:50:03 GMT 2023
PRIMARY
CAS
57304-00-4
Created by admin on Fri Dec 15 18:50:03 GMT 2023 , Edited by admin on Fri Dec 15 18:50:03 GMT 2023
PRIMARY
EPA CompTox
DTXSID10205928
Created by admin on Fri Dec 15 18:50:03 GMT 2023 , Edited by admin on Fri Dec 15 18:50:03 GMT 2023
PRIMARY