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Oxolamine citrate 5g

CAT: 0628-A18149-5000Size: 5000 mgDry Ice: NoHazardous: No
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CAT#:0628-A18149-5000Size:5000 mg
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CAS Number
1949-20-8

Chemical Information

Oxolamine citrate
CAS Number1949-20-8
PubChem CID264891
IUPAC NameN,N-diethyl-2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethanamine;2-hydroxypropane-1,2,3-tricarboxylic acid
Molecular FormulaC20H27N3O8
Molecular Weight437.4
Topological Polar Surface Area174
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count11
Rotatable Bond Count11
Heavy Atom Count31
Formal Charge0
Complexity454
SMILES
CCN(CC)CCC1=NC(=NO1)C2=CC=CC=C2.C(C(=O)O)C(CC(=O)O)(C(=O)O)O
InChI
InChI=1S/C14H19N3O.C6H8O7/c1-3-17(4-2)11-10-13-15-14(16-18-13)12-8-6-5-7-9-12;7-3(8)1-6(13,5(11)12)2-4(9)10/h5-9H,3-4,10-11H2,1-2H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)
InChIKey
RBZIGQJSMCOHSS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Oxolamine citrate
CAS: 1949-20-8
CID: 264891
Formula: C20H27N3O8
MW: 437.4
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight437.4
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count11
Rotatable Bond Count11
Exact Mass437.17981483
Monoisotopic Mass437.17981483
Topological Polar Surface Area174 Ų
Heavy Atom Count31
Formal Charge0
Complexity454
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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Alternative Products

CatalogName
MBS576555Oxolamine citrate
HY-B1042-01Oxolamine (citrate)
BAA94920Oxolamine citrate salt
HY-B1717Oxolamine
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HY-B1717AOxolamine (hydrochloride)
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