1-AMINO-4-(PHENYLTHIO)ANTHRAQUINONE

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C20H13NO2S
Molecular Weight	331.388
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 1-AMINO-4-(PHENYLTHIO)ANTHRAQUINONE

Structure Search

SMILES

NC1=C2C(=O)C3=C(C=CC=C3)C(=O)C2=C(SC4=CC=CC=C4)C=C1

InChI

InChIKey=LTOKWJHRFGVTLE-UHFFFAOYSA-N

InChI=1S/C20H13NO2S/c21-15-10-11-16(24-12-6-2-1-3-7-12)18-17(15)19(22)13-8-4-5-9-14(13)20(18)23/h1-11H,21H2

HIDE SMILES / InChI

Molecular Formula	C20H13NO2S
Molecular Weight	331.388
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 `Wed Apr 02 08:46:48 GMT 2025` Edited by `admin` on `Wed Apr 02 08:46:48 GMT 2025`
Record UNII	UWM4332F9C
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

1-AMINO-4-(PHENYLTHIO)ANTHRAQUINONE

Systematic Name

English

9,10-ANTHRACENEDIONE, 1-AMINO-4-(PHENYLTHIO)-

Preferred Name

English

1-AMINO-4-(PHENYLTHIO)-9,10-ANTHRACENEDIONE

Systematic Name

English

Code System Code Type Description

FDA UNII

UWM4332F9C

Created by admin on Wed Apr 02 08:46:48 GMT 2025 , Edited by admin on Wed Apr 02 08:46:48 GMT 2025

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ECHA (EC/EINECS)

236-792-1

Created by admin on Wed Apr 02 08:46:48 GMT 2025 , Edited by admin on Wed Apr 02 08:46:48 GMT 2025

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EPA CompTox

DTXSID6065507

Created by admin on Wed Apr 02 08:46:48 GMT 2025 , Edited by admin on Wed Apr 02 08:46:48 GMT 2025

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PUBCHEM

83523

Created by admin on Wed Apr 02 08:46:48 GMT 2025 , Edited by admin on Wed Apr 02 08:46:48 GMT 2025

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CAS

13483-52-8

Created by admin on Wed Apr 02 08:46:48 GMT 2025 , Edited by admin on Wed Apr 02 08:46:48 GMT 2025

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