Pamicogrel 50mg

CAT: 0628-A22696-50Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0628-A22696-50Size:50 mg

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CAS Number

101001-34-7

Chemical Information

Pamicogrel

Pamicogrel is a small molecule drug. Pamicogrel has a monoisotopic molecular weight of 448.15 Da.

CAS Number	101001-34-7
PubChem CID	65870
IUPAC Name	ethyl 2-[2-[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]pyrrol-1-yl]acetate
Molecular Formula	C25H24N2O4S
Molecular Weight	448.5
XLogP	5
Topological Polar Surface Area	90.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	9
Heavy Atom Count	32
Formal Charge	0
Complexity	592

SMILES

CCOC(=O)CN1C=CC=C1C2=NC(=C(S2)C3=CC=C(C=C3)OC)C4=CC=C(C=C4)OC

InChI

InChI=1S/C25H24N2O4S/c1-4-31-22(28)16-27-15-5-6-21(27)25-26-23(17-7-11-19(29-2)12-8-17)24(32-25)18-9-13-20(30-3)14-10-18/h5-15H,4,16H2,1-3H3

InChIKey

ISCHOARKJADAKJ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 101001-34-7

CID: 65870

Formula: C25H24N2O4S

MW: 448.5

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	448.5
XLogP3	5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	9
Exact Mass	448.14567842
Monoisotopic Mass	448.14567842
Topological Polar Surface Area	90.8 Å²
Heavy Atom Count	32
Formal Charge	0
Complexity	592
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

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