4,5-Dehydro Apixaban

CAT: 0572-TRC-D229385-2.5MGSize: 2.5 mgDry Ice: NoHazardous: No

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CAT#:0572-TRC-D229385-2.5MGSize:2.5 mg

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CAS Number

1074549-89-5

Synonyms

1-(4-Methoxyphenyl)-7-oxo-6-(4-(2-oxopiperidin-1-yl)phenyl)-6,7-dihydro-1H-pyrazolo[3,4-c]pyridine-3-carboxamide; 6,7-Dihydro-1-(4-methoxyphenyl)-7-oxo-6-[4-(2-oxo-1-piperidinyl)phenyl]-1H-Pyrazolo[3,4-c]pyridine-3-carboxamide

Hazard Statement

Not a hazardous substance according to GHS.

Purity

>95% (HPLC)

Smiles

NC(C1=NN(C2=CC=C(OC)C=C2)C(C3=O)=C1C=CN3C(C=C4)=CC=C4N5C(CCCC5)=O)=O

Molecular Formula

C25H23N5O4

Molecular Weight

457.48

Shipping Conditions

Room Temperature

Storage Conditions

+4°C

Chemical Information

4,5-Dehydro Apixaban

CAS Number	1074549-89-5
PubChem CID	90011393
IUPAC Name	1-(4-methoxyphenyl)-7-oxo-6-[4-(2-oxopiperidin-1-yl)phenyl]pyrazolo[5,4-c]pyridine-3-carboxamide
Molecular Formula	C25H23N5O4
Molecular Weight	457.5
XLogP	2.3
Topological Polar Surface Area	111
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	5
Heavy Atom Count	34
Formal Charge	0
Complexity	818

SMILES

COC1=CC=C(C=C1)N2C3=C(C=CN(C3=O)C4=CC=C(C=C4)N5CCCCC5=O)C(=N2)C(=O)N

InChI

InChI=1S/C25H23N5O4/c1-34-19-11-9-18(10-12-19)30-23-20(22(27-30)24(26)32)13-15-29(25(23)33)17-7-5-16(6-8-17)28-14-3-2-4-21(28)31/h5-13,15H,2-4,14H2,1H3,(H2,26,32)

InChIKey

CBTJDWJXHOSJHK-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1074549-89-5

CID: 90011393

Formula: C25H23N5O4

MW: 457.5

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	457.5
XLogP3	2.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	5
Exact Mass	457.17500423
Monoisotopic Mass	457.17500423
Topological Polar Surface Area	111 Å²
Heavy Atom Count	34
Formal Charge	0
Complexity	818
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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Catalog	Name
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TRC-H951345-50MG	4,5-Dehydro-Capsaicin
TRC-H951345-5MG	4,5-Dehydro-Capsaicin
TRC-M331278-10MG	5''''-Methyl-apixaban
TRC-M331278-5MG	5''''-Methyl-apixaban
TRC-M331278-1MG	5''''-Methyl-apixaban
C583755	5-Chloropentanamide Apixaban
TRC-D230050-5MG	rac 4,5-Dehydro Pregabalin
TRC-D230255-5MG	(R)-4,5-Dehydro Pregabalin
TRC-D230255-2.5MG	(R)-4,5-Dehydro Pregabalin

Alternative Products

Catalog	Name
433638-01	4,5-Dehydro Apixaban
AR-A03255-01	5''''-Methyl-Apixaban
441669-01	Apixaban Metabolite 5
RM-A162459-01	Apixaban Intermediate 5
AR-A02272-01	Apixaban Impurity 5
GTR19280914-01	Apixaban impurity 4
RM-A162455-01	Apixaban Related Compound 5
AR-A04956-01	Apixaban Nitroso Impurity 5
AR-A04646-01	Apixaban 5-Bromopentanamide Impurity
DVA61276-01	4-Demethoxy-4-hydroxy apixaban

4,5-Dehydro Apixaban

Chemical Information

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