Erdosteine

CAT: 0127-BUP16886-02Size: 500 mgDry Ice: NoHazardous: No

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CAT#:0127-BUP16886-02Size:500 mg

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CAS Number

84611-23-4

Synonyms

RV 144, KW-9144

Purity

=98%

Smiles

N(C(CSCC(O)=O)=O)C1C(=O)SCC1

Chemical Information

Erdosteine

Erdosteine is a N-acyl-amino acid.

CAS Number	84611-23-4
PubChem CID	65632
IUPAC Name	2-[2-oxo-2-[(2-oxothiolan-3-yl)amino]ethyl]sulfanylacetic acid
Molecular Formula	C8H11NO4S2
Molecular Weight	249.3
XLogP	-0.1
Topological Polar Surface Area	134
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	5
Heavy Atom Count	15
Formal Charge	0
Complexity	282

SMILES

C1CSC(=O)C1NC(=O)CSCC(=O)O

InChI

InChI=1S/C8H11NO4S2/c10-6(3-14-4-7(11)12)9-5-1-2-15-8(5)13/h5H,1-4H2,(H,9,10)(H,11,12)

InChIKey

QGFORSXNKQLDNO-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 84611-23-4

CID: 65632

Formula: C8H11NO4S2

MW: 249.3

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	249.3
XLogP3	-0.1
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	5
Exact Mass	249.01295018
Monoisotopic Mass	249.01295018
Topological Polar Surface Area	134 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	282
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
B1938-5.1	Erdosteine
TRC-E596070-50MG	Erdosteine Homocysteine Impurity (Erdosteine RV201)