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Darexaban

CAT: 0926-FD36340-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0926-FD36340-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
365462-23-3
Smiles
CN1CCCN (CC1) C2=CC=C (C=C2) C (=O) NC3=C (C=CC=C3O) NC (=O) C4=CC=C (C=C4) OC
Controlled
No

Chemical Information

Darexaban

Darexaban has been used in trials studying the prevention and basic science of Japanese, Caucasian, Thromboembolism, Pharmacodynamics, and Pharmacokinetics, among others.

CAS Number365462-23-3
PubChem CID9912771
IUPAC NameN-[2-hydroxy-6-[(4-methoxybenzoyl)amino]phenyl]-4-(4-methyl-1,4-diazepan-1-yl)benzamide
Molecular FormulaC27H30N4O4
Molecular Weight474.6
XLogP3.5
Topological Polar Surface Area94.1
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Heavy Atom Count35
Formal Charge0
Complexity691
SMILES
CN1CCCN(CC1)C2=CC=C(C=C2)C(=O)NC3=C(C=CC=C3O)NC(=O)C4=CC=C(C=C4)OC
InChI
InChI=1S/C27H30N4O4/c1-30-15-4-16-31(18-17-30)21-11-7-19(8-12-21)27(34)29-25-23(5-3-6-24(25)32)28-26(33)20-9-13-22(35-2)14-10-20/h3,5-14,32H,4,15-18H2,1-2H3,(H,28,33)(H,29,34)
InChIKey
IJNIQYINMSGIPS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Darexaban
CAS: 365462-23-3
CID: 9912771
Formula: C27H30N4O4
MW: 474.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight474.6
XLogP33.5
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Exact Mass474.22670545
Monoisotopic Mass474.22670545
Topological Polar Surface Area94.1 Ų
Heavy Atom Count35
Formal Charge0
Complexity691
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

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BA7702-5Darexaban
T69353-01Darexaban maleate
MBS5776843Darexaban glucuronide
273412-01Darexaban discontinued
HY-135541Darexaban (maleate)

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