Sarpogrelate Impurity 20

CAT: 1299-RM-S680120-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-S680120-01Size:10 mg

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CAS Number

138656-67-4

Synonyms

3- (2- (3-methoxyphenethyl) phenoxy) propane-1,2-diol

Molecular Formula

C18H22O4

Molecular Weight

302.37

Target Alternative Name

Sarpogrelate

Chemical Information

3-(2-(3-Methoxyphenethyl)phenoxy)propane-1,2-diol

CAS Number	138656-67-4
PubChem CID	176487888
IUPAC Name	3-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]propane-1,2-diol
Molecular Formula	C18H22O4
Molecular Weight	302.4
XLogP	2.8
Topological Polar Surface Area	58.9
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	8
Heavy Atom Count	22
Formal Charge	0
Complexity	297

SMILES

COC1=CC=CC(=C1)CCC2=CC=CC=C2OCC(CO)O

InChI

InChI=1S/C18H22O4/c1-21-17-7-4-5-14(11-17)9-10-15-6-2-3-8-18(15)22-13-16(20)12-19/h2-8,11,16,19-20H,9-10,12-13H2,1H3

InChIKey

VELRVQMDZVBODP-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 138656-67-4

CID: 176487888

Formula: C18H22O4

MW: 302.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	302.4
XLogP3	2.8
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	8
Exact Mass	302.15180918
Monoisotopic Mass	302.15180918
Topological Polar Surface Area	58.9 Å²
Heavy Atom Count	22
Formal Charge	0
Complexity	297
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
FS184432-01	Sarpogrelate Impurity 1
HY-10563	Sarpogrelate
020844	Sarpogrelate Hydrochloride
319608	Sarpogrelate HCl
HY-10564-01	Sarpogrelate (hydrochloride)