Benzo[a]pyrene-6-methanol, hydrogen sulfate, sodium salt

[Na+].[O-]S(=O)(=O)OCC1=C2C=CC3=CC=CC4=CC=C(C5=CC=CC=C15)C2=C34

InChIKey=PKUVMANQANSWIU-UHFFFAOYSA-M

InChI=1S/C21H14O4S.Na/c22-26(23,24)25-12-19-16-7-2-1-6-15(16)17-10-8-13-4-3-5-14-9-11-18(19)21(17)20(13)14;/h1-11H,12H2,(H,22,23,24);/q;+1/p-1

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

PubMed

Title	Date	PubMed
Metabolic activation of the carcinogen 6-hydroxymethylbenzo[a]pyrene: formation of an electrophilic sulfuric acid ester and benzylic DNA adducts in rat liver in vivo and in reactions in vitro.	1989-08	2752526

Substance Class	Chemical Created by `admin` on `Mon Mar 31 23:04:29 GMT 2025` Edited by `admin` on `Mon Mar 31 23:04:29 GMT 2025`
Record UNII	LK3S7A6W3M
Record Status	`Validated (UNII)`
Record Version

Name

Type

Language

Benzo[a]pyrene-6-methanol, hydrogen sulfate, sodium salt

Preferred Name

English

Code System Code Type Description

PUBCHEM

23703977

Created by admin on Mon Mar 31 23:04:29 GMT 2025 , Edited by admin on Mon Mar 31 23:04:29 GMT 2025

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CAS

68041-18-9

Created by admin on Mon Mar 31 23:04:29 GMT 2025 , Edited by admin on Mon Mar 31 23:04:29 GMT 2025

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EPA CompTox

DTXSID20218221

Created by admin on Mon Mar 31 23:04:29 GMT 2025 , Edited by admin on Mon Mar 31 23:04:29 GMT 2025

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FDA UNII

LK3S7A6W3M

Created by admin on Mon Mar 31 23:04:29 GMT 2025 , Edited by admin on Mon Mar 31 23:04:29 GMT 2025

PRIMARY