Elinogrel

CAT: 0127-BUP12875-02Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0127-BUP12875-02Size:10 mg

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CAS Number

936500-94-6

Synonyms

PRT060128

Purity

=95%

Smiles

CNc1cc2[nH]c(=O)n(-c3ccc(NC(=O)NS(=O)(=O)c4ccc(Cl)s4)cc3)c(=O)c2cc1F

Chemical Information

Elinogrel

A P2Y12 inhibitor and platelet aggregation inhibitor.

CAS Number	936500-94-6
PubChem CID	16066663
IUPAC Name	1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[6-fluoro-7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]phenyl]urea
Molecular Formula	C20H15ClFN5O5S2
Molecular Weight	523.9
XLogP	3.9
Topological Polar Surface Area	173
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	5
Heavy Atom Count	34
Formal Charge	0
Complexity	914

SMILES

CNC1=C(C=C2C(=C1)NC(=O)N(C2=O)C3=CC=C(C=C3)NC(=O)NS(=O)(=O)C4=CC=C(S4)Cl)F

InChI

InChI=1S/C20H15ClFN5O5S2/c1-23-15-9-14-12(8-13(15)22)18(28)27(20(30)25-14)11-4-2-10(3-5-11)24-19(29)26-34(31,32)17-7-6-16(21)33-17/h2-9,23H,1H3,(H,25,30)(H2,24,26,29)

InChIKey

LGSDFTPAICUONK-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 936500-94-6

CID: 16066663

Formula: C20H15ClFN5O5S2

MW: 523.9

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	523.9
XLogP3	3.9
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	5
Exact Mass	523.0187168
Monoisotopic Mass	523.0187168
Topological Polar Surface Area	173 Å²
Heavy Atom Count	34
Formal Charge	0
Complexity	914
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Alternative Products

Catalog	Name
5316/10	Elinogrel
T88354-01	Elinogrel potassium
A21468-50	Elinogrel 50mg
A21468-1	Elinogrel 1mg
A21468-200	Elinogrel 200mg
A21468-25	Elinogrel 25mg
A21468-10	Elinogrel 10mg
HY-14486	Elinogrel (potassium)
A21468-100	Elinogrel 100mg
A21468-5	Elinogrel 5mg

Elinogrel

Chemical Information

Alternative Products

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