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Betrixaban maleate

CAT: 0957-S5389-25mgSize: 25 mgDry Ice: NoHazardous: No
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CAT#:0957-S5389-25mgSize:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
936539-80-9
Target
Factor Xa
Applications
Metabolism
Smiles
CN (C) C (=N) C1=CC=C (C=C1) C (=O) NC2=C (C=C (C=C2) OC) C (=O) NC3=NC=C (C=C3) Cl.C (=CC (=O) O) C (=O) O
Molecular Formula
C23H22ClN5O3.C4H4O4
Additionnal Information
Betrixaban maleate is the maleate salt form of Betrixaban, which is a Factor Xa inhibitor that decreases prothrombinase activity and thrombin generation.
Storage Conditions
3 years -20°C powder

Chemical Information

Betrixaban maleate
CAS Number936539-80-9
PubChem CID16069304
IUPAC Name(Z)-but-2-enedioic acid;N-(5-chloro-2-pyridinyl)-2-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]-5-methoxybenzamide
Molecular FormulaC27H26ClN5O7
Molecular Weight568.0
Topological Polar Surface Area182
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count9
Rotatable Bond Count9
Heavy Atom Count40
Formal Charge0
Complexity787
SMILES
CN(C)C(=N)C1=CC=C(C=C1)C(=O)NC2=C(C=C(C=C2)OC)C(=O)NC3=NC=C(C=C3)Cl.C(=C\C(=O)O)\C(=O)O
InChI
InChI=1S/C23H22ClN5O3.C4H4O4/c1-29(2)21(25)14-4-6-15(7-5-14)22(30)27-19-10-9-17(32-3)12-18(19)23(31)28-20-11-8-16(24)13-26-20;5-3(6)1-2-4(7)8/h4-13,25H,1-3H3,(H,27,30)(H,26,28,31);1-2H,(H,5,6)(H,7,8)/b;2-1-
InChIKey
DTSJEZCXVWQKCL-BTJKTKAUSA-N
Chemical Structure
2D Structure
2D structure of Betrixaban maleate
CAS: 936539-80-9
CID: 16069304
Formula: C27H26ClN5O7
MW: 568.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight568.0
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count9
Rotatable Bond Count9
Exact Mass567.1520759
Monoisotopic Mass567.1520759
Topological Polar Surface Area182 Ų
Heavy Atom Count40
Formal Charge0
Complexity787
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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M19839-01Betrixaban maleate
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