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Moroxybrate

CAT: 0926-EDA99042-01Size: 250 mgDry Ice: NoHazardous: No
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CAT#:0926-EDA99042-01Size:250 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
79990-42-4
Smiles
CC (C) (C (=O) O) OC1=CC=C (C=C1) Cl.C1COCCN1C (=N) N=C (N) N
Molecular Formula
C16H24ClN5O4
Molecular Weight
385.8 g/mol
Controlled
No

Chemical Information

Moroxybrate

salt resulting from reaction of clofibric acid with moroxydine; structure given in first source

CAS Number79990-42-4
PubChem CID133326
IUPAC Name2-(4-chlorophenoxy)-2-methylpropanoic acid;N-(diaminomethylidene)morpholine-4-carboximidamide
Molecular FormulaC16H24ClN5O4
Molecular Weight385.8
Topological Polar Surface Area147
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Heavy Atom Count26
Formal Charge0
Complexity400
SMILES
CC(C)(C(=O)O)OC1=CC=C(C=C1)Cl.C1COCCN1C(=N)N=C(N)N
InChI
InChI=1S/C10H11ClO3.C6H13N5O/c1-10(2,9(12)13)14-8-5-3-7(11)4-6-8;7-5(8)10-6(9)11-1-3-12-4-2-11/h3-6H,1-2H3,(H,12,13);1-4H2,(H5,7,8,9,10)
InChIKey
NEYFONCVOQHZLT-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Moroxybrate
CAS: 79990-42-4
CID: 133326
Formula: C16H24ClN5O4
MW: 385.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight385.8
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Exact Mass385.1516820
Monoisotopic Mass385.1516820
Topological Polar Surface Area147 Ų
Heavy Atom Count26
Formal Charge0
Complexity400
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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