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Details

Stereochemistry ABSOLUTE
Molecular Formula C15H19NO8S
Molecular Weight 373.3799
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-METHYL-THIOACETAMINOPHEN GLUCURONIDE

SMILES

CC(=Nc1ccc(c(c1)SC)O[C@@]2([H])[C@@]([H])([C@]([H])([C@@]([H])([C@@]([H])(C(=O)O)O2)O)O)O)O

InChI

InChIKey=HMZJUIVYCLFXAK-DKBOKBLXSA-N
InChI=1S/C15H19NO8S/c1-6(17)16-7-3-4-8(9(5-7)25-2)23-15-12(20)10(18)11(19)13(24-15)14(21)22/h3-5,10-13,15,18-20H,1-2H3,(H,16,17)(H,21,22)/t10-,11-,12+,13-,15+/m0/s1

HIDE SMILES / InChI

Molecular Formula C15H19NO8S
Molecular Weight 373.3799
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 5 / 5
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Jun 26 11:48:44 UTC 2021
Edited
by admin
on Sat Jun 26 11:48:44 UTC 2021
Record UNII
57DZD477I1
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-METHYL-THIOACETAMINOPHEN GLUCURONIDE
Common Name English
3-THIOMETHYLPARACETAMOL GLUCURONIDE
Common Name English
3-(THIOMETHYL)ACETAMINOPHEN GLUCURONIDE
Common Name English
.BETA.-D-GLUCOPYRANOSIDURONIC ACID, 4-(ACETYLAMINO)-2-(METHYLTHIO)PHENYL
Systematic Name English
3-TMAG
Common Name English
Code System Code Type Description
FDA UNII
57DZD477I1
Created by admin on Sat Jun 26 11:48:45 UTC 2021 , Edited by admin on Sat Jun 26 11:48:45 UTC 2021
PRIMARY
PUBCHEM
196070
Created by admin on Sat Jun 26 11:48:45 UTC 2021 , Edited by admin on Sat Jun 26 11:48:45 UTC 2021
PRIMARY
CAS
78180-86-6
Created by admin on Sat Jun 26 11:48:45 UTC 2021 , Edited by admin on Sat Jun 26 11:48:45 UTC 2021
PRIMARY
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