3-HYDROXY-7,12-DIMETHYLBENZ(A)ANTHRACENE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C20H16O
Molecular Weight	272.3404
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 3-HYDROXY-7,12-DIMETHYLBENZ(A)ANTHRACENE

Structure Search

SMILES

CC1=C2C=CC3=C(C=CC(O)=C3)C2=C(C)C4=C1C=CC=C4

InChI

InChIKey=BQLIXGXXAQHBPX-UHFFFAOYSA-N

InChI=1S/C20H16O/c1-12-16-5-3-4-6-17(16)13(2)20-18(12)9-7-14-11-15(21)8-10-19(14)20/h3-11,21H,1-2H3

HIDE SMILES / InChI

Molecular Formula	C20H16O
Molecular Weight	272.3404
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 `Fri Dec 15 18:53:51 GMT 2023` Edited by `admin` on `Fri Dec 15 18:53:51 GMT 2023`
Record UNII	M347XX7DJX
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

3-HYDROXY-7,12-DIMETHYLBENZ(A)ANTHRACENE

Systematic Name

English

7,12-DIMETHYLBENZO(A)ANTHRACEN-3-OL

Systematic Name

English

BENZ(A)ANTHRACEN-3-OL, 7,12-DIMETHYL-

Systematic Name

English

HYDROXY-7,12-DIMETHYLBENZ(A)ANTHRACENE, 3-

Systematic Name

English

Code System Code Type Description

EPA CompTox

DTXSID70205888

Created by admin on Fri Dec 15 18:53:51 GMT 2023 , Edited by admin on Fri Dec 15 18:53:51 GMT 2023

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CAS

57266-83-8

Created by admin on Fri Dec 15 18:53:51 GMT 2023 , Edited by admin on Fri Dec 15 18:53:51 GMT 2023

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FDA UNII

M347XX7DJX

Created by admin on Fri Dec 15 18:53:51 GMT 2023 , Edited by admin on Fri Dec 15 18:53:51 GMT 2023

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PUBCHEM

42244

Created by admin on Fri Dec 15 18:53:51 GMT 2023 , Edited by admin on Fri Dec 15 18:53:51 GMT 2023

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Related Record Type Details


					F05B6S0395

7,12-DIMETHYLBENZANTHRACENE

PARENT -> METABOLITE

Comments:

in rainbow trout

Amount: