Moguisteine

CAT: 1568-C17203-10mM/1mLSize: 10 mM/1mLDry Ice: YesHazardous: No

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CAT#:1568-C17203-10mM/1mLSize:10 mM/1mL

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

119637-67-1

Synonyms

BBR-2173

Target

Others

Applications

Others

Smiles

CCOC (=O) CC (=O) N1CCSC1COC2=CC=CC=C2OC

Molecular Formula

C16H21NO5S

Additionnal Information

Moguisteine (BBR-2173) is a novel peripheral non-narcotic antitussive drug.

Storage Conditions

2 years -80 in solvent

Chemical Information

Moguisteine

CAS Number	119637-67-1
PubChem CID	65935
IUPAC Name	ethyl 3-[2-[(2-methoxyphenoxy)methyl]-1,3-thiazolidin-3-yl]-3-oxopropanoate
Molecular Formula	C16H21NO5S
Molecular Weight	339.4
XLogP	2.3
Topological Polar Surface Area	90.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	8
Heavy Atom Count	23
Formal Charge	0
Complexity	406

SMILES

CCOC(=O)CC(=O)N1CCSC1COC2=CC=CC=C2OC

InChI

InChI=1S/C16H21NO5S/c1-3-21-16(19)10-14(18)17-8-9-23-15(17)11-22-13-7-5-4-6-12(13)20-2/h4-7,15H,3,8-11H2,1-2H3

InChIKey

WSYVIAQNTFPTBI-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 119637-67-1

CID: 65935

Formula: C16H21NO5S

MW: 339.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	339.4
XLogP3	2.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	8
Exact Mass	339.11404394
Monoisotopic Mass	339.11404394
Topological Polar Surface Area	90.4 Å²
Heavy Atom Count	23
Formal Charge	0
Complexity	406
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
B2115-5.1	Moguisteine