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503612-47-3

503612-47-3 structural image
Product Name: Apixaban
Formula: C25H25N5O4
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CHEMICAL AND PHYSICAL PROPERTIES

Color/Form White to pale-yellow powder
Boiling Point 770.5
Melting Point 326.53
Solubility 0.11mg/mL
LogP 2.71
pH At physiological pH (1.2-6.8) ... does not ionize

SAFETY INFORMATION

Signal word Warning
Pictogram(s)

Health Hazard
GHS08
GHS Hazard Statements H361:Reproductive toxicity
Precautionary Statement Codes P201:Obtain special instructions before use.
P202:Do not handle until all safety precautions have been read and understood.
P280:Wear protective gloves/protective clothing/eye protection/face protection.
P308+P313:IF exposed or concerned: Get medical advice/attention.
P405:Store locked up.

COMPUTED DESCRIPTORS

Molecular Weight 459.5 g/mol
XLogP3 2.2
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 5
Rotatable Bond Count 5
Exact Mass 459.19065430 g/mol
Monoisotopic Mass 459.19065430 g/mol
Topological Polar Surface Area 111 Ų
Heavy Atom Count 34
Formal Charge 0
Complexity 777
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

PRODUCT INTRODUCTION

description

Apixaban is a pyrazolopyridine that is 7-oxo-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c]pyridine-3-carboxamide substituted at position 1 by a 4-methoxyphenyl group and at position 6 by a 4-(2-oxopiperidin-1-yl)phenyl group. It is used for the prevention and treatment of thromboembolic diseases. It has a role as an anticoagulant and an EC 3.4.21.6 (coagulation factor Xa) inhibitor. It is a pyrazolopyridine, a member of piperidones, a lactam and an aromatic ether.

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