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

Details

Stereochemistry ACHIRAL
Molecular Formula C21H14
Molecular Weight 266.3359
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1-METHYLBENZO(A)PYRENE

SMILES

CC1=C2C=CC3=C4C=CC=CC4=CC5=CC=C(C=C1)C2=C35

InChI

InChIKey=WMAYPBMLSQKCHA-UHFFFAOYSA-N
InChI=1S/C21H14/c1-13-6-7-14-8-9-16-12-15-4-2-3-5-18(15)19-11-10-17(13)20(14)21(16)19/h2-12H,1H3

HIDE SMILES / InChI

Approval Year

Name Type Language
BENZO(A)PYRENE, 1-METHYL-
Preferred Name English
1-METHYLBENZO(A)PYRENE
Systematic Name English
1-METHYL-BP
Common Name English
Code System Code Type Description
CAS
40568-90-9
Created by admin on Mon Mar 31 22:38:05 GMT 2025 , Edited by admin on Mon Mar 31 22:38:05 GMT 2025
PRIMARY
EPA CompTox
DTXSID40193581
Created by admin on Mon Mar 31 22:38:05 GMT 2025 , Edited by admin on Mon Mar 31 22:38:05 GMT 2025
PRIMARY
PUBCHEM
38520
Created by admin on Mon Mar 31 22:38:05 GMT 2025 , Edited by admin on Mon Mar 31 22:38:05 GMT 2025
PRIMARY
FDA UNII
BU3JKG3GV5
Created by admin on Mon Mar 31 22:38:05 GMT 2025 , Edited by admin on Mon Mar 31 22:38:05 GMT 2025
PRIMARY