ACETAMINOPHEN MERCAPTURATE

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NCATS

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C13H16N2O5S
Molecular Weight	312.342
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of ACETAMINOPHEN MERCAPTURATE

Structure Search

SMILES

CC(=O)N[C@@H](CSC1=CC(NC(C)=O)=CC=C1O)C(O)=O

InChI

InChIKey=DVPRQNKJGQEICH-JTQLQIEISA-N

InChI=1S/C13H16N2O5S/c1-7(16)14-9-3-4-11(18)12(5-9)21-6-10(13(19)20)15-8(2)17/h3-5,10,18H,6H2,1-2H3,(H,14,16)(H,15,17)(H,19,20)/t10-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C13H16N2O5S
Molecular Weight	312.342
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	1 / 1
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 18:57:49 GMT 2025` Edited by `admin` on `Mon Mar 31 18:57:49 GMT 2025`
Record UNII	R86SEU3G6U
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

PARACETAMOL MERCAPTURATE

Preferred Name

English

ACETAMINOPHEN MERCAPTURATE

Common Name

English

3-((5-ACETAMIDO-2-HYDROXYPHENYL)THIO)-N-ACETYLALANINE

Systematic Name

English

L-CYSTEINE, N-ACETYL-S-(5-(ACETYLAMINO)-2-HYDROXYPHENYL)-

Systematic Name

English

N-ACETYL-2-(N-ACETYL-L-CYSTEINYL)-4-AMINOPHENOL

Systematic Name

English

Code System Code Type Description

EPA CompTox

DTXSID30966766

Created by admin on Mon Mar 31 18:57:49 GMT 2025 , Edited by admin on Mon Mar 31 18:57:49 GMT 2025

PRIMARY

CAS

52372-86-8

Created by admin on Mon Mar 31 18:57:49 GMT 2025 , Edited by admin on Mon Mar 31 18:57:49 GMT 2025

PRIMARY

CHEBI

133435

Created by admin on Mon Mar 31 18:57:49 GMT 2025 , Edited by admin on Mon Mar 31 18:57:49 GMT 2025

PRIMARY

PUBCHEM

83967

Created by admin on Mon Mar 31 18:57:49 GMT 2025 , Edited by admin on Mon Mar 31 18:57:49 GMT 2025

PRIMARY

MESH

C048094

Created by admin on Mon Mar 31 18:57:49 GMT 2025 , Edited by admin on Mon Mar 31 18:57:49 GMT 2025

PRIMARY

FDA UNII

R86SEU3G6U

Created by admin on Mon Mar 31 18:57:49 GMT 2025 , Edited by admin on Mon Mar 31 18:57:49 GMT 2025

PRIMARY

CHEBI

133438

Created by admin on Mon Mar 31 18:57:49 GMT 2025 , Edited by admin on Mon Mar 31 18:57:49 GMT 2025

PRIMARY

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PARENT -> METABOLITE INACTIVE

Qualification:

URINE

Amount: