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Details

Stereochemistry RACEMIC
Molecular Formula C8H13NO5S2
Molecular Weight 267.323
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Erdosteine Metabolite 1

SMILES

OC(=O)CSCC(=O)NC(CCS)C(O)=O

InChI

InChIKey=JXVPSTRNHZDJFF-UHFFFAOYSA-N
InChI=1S/C8H13NO5S2/c10-6(3-16-4-7(11)12)9-5(1-2-15)8(13)14/h5,15H,1-4H2,(H,9,10)(H,11,12)(H,13,14)

HIDE SMILES / InChI

Molecular Formula C8H13NO5S2
Molecular Weight 267.323
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 20:08:25 UTC 2023
Edited
by admin
on Sat Dec 16 20:08:25 UTC 2023
Record UNII
PQ4H3CJ9NU
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Erdosteine Metabolite 1
Common Name English
2-[[2-(Carboxymethylsulfanyl)acetyl]amino]-4-sulfanylbutanoic acid
Systematic Name English
DL-Homocysteine, N-[[(carboxymethyl)thio]acetyl]-
Systematic Name English
Homocysteine, N-[[(carboxymethyl)thio]acetyl]-
Systematic Name English
Code System Code Type Description
FDA UNII
PQ4H3CJ9NU
Created by admin on Sat Dec 16 20:08:25 UTC 2023 , Edited by admin on Sat Dec 16 20:08:25 UTC 2023
PRIMARY
CAS
121213-21-6
Created by admin on Sat Dec 16 20:08:25 UTC 2023 , Edited by admin on Sat Dec 16 20:08:25 UTC 2023
PRIMARY
PUBCHEM
10199236
Created by admin on Sat Dec 16 20:08:25 UTC 2023 , Edited by admin on Sat Dec 16 20:08:25 UTC 2023
PRIMARY
Related Record Type Details
PRODRUG -> METABOLITE ACTIVE
Related Record Type Details
ACTIVE MOIETY