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Erdosteine Metabolite 1

CAT: 1459-CS-O-10390Size: 1 EachDry Ice: NoHazardous: No
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CAT#:1459-CS-O-10390Size:1 Each
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Description
Erdosteine Metabolite 1 is listed under Metabolite and is intended for analytical research, quality control and pharmaceutical reference standard applications. It is associated with Erdosteine. The product is supplied by Clearsynth under CAT No. CS-O-10390. Clearsynth provides this compound for research and analytical use, with product information including CAS number, molecular formula, molecular weight and product enquiry details.
Overview
Useful research chemical for a range of applications.
CAS Number
121213-21-6
Synonyms
Erdosteine Metabolite 1
Molecular Formula
C 8 H 13 NO 5 S 2
Molecular Weight
267.32
Additionnal Information
Erdosteine Metabolite 1 is supplied with detailed characterization data compliant with regulatory guideline. Erdosteine Metabolite 1 can be used for analytical method development, method validation (AMV), Quality Control (QC) application for Abbreviated New Drug Application (ANDA), or during commercial production of Erdosteine.
Storage Conditions
Refer MSDS for complete information.
Applications Notes
Useful research chemical for a range of applications.
HSN Code
38229010
Hazard Compound
Refer MSDS for accurate information.

Chemical Information

DL-Homocysteine, N-(((carboxymethyl)thio)acetyl)-
CAS Number121213-21-6
PubChem CID3078444
IUPAC Name(2S)-2-[[2-(carboxymethylsulfanyl)acetyl]amino]-4-sulfanylbutanoic acid
Molecular FormulaC8H13NO5S2
Molecular Weight267.3
XLogP0.1
Topological Polar Surface Area130
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count7
Rotatable Bond Count8
Heavy Atom Count16
Formal Charge0
Complexity271
SMILES
C(CS)[C@@H](C(=O)O)NC(=O)CSCC(=O)O
InChI
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)/t5-/m0/s1
InChIKey
JXVPSTRNHZDJFF-YFKPBYRVSA-N
Chemical Structure
2D Structure
2D structure of DL-Homocysteine, N-(((carboxymethyl)thio)acetyl)-
CAS: 121213-21-6
CID: 3078444
Formula: C8H13NO5S2
MW: 267.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight267.3
XLogP30.1
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count7
Rotatable Bond Count8
Exact Mass267.02351486
Monoisotopic Mass267.02351486
Topological Polar Surface Area130 Ų
Heavy Atom Count16
Formal Charge0
Complexity271
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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