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Bicisate

CAT: 1596-AR-B07150-02Size: 25 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-B07150-02Size:25 Units
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CAS Number
121251-02-3
Molecular Formula
C12H24N2O4S2
Molecular Weight
324.45
API Name
Bicisate

Chemical Information

Bicisate

Bicisate, also known as ethyl cysteinate dimer (ECD), is a N,N'-1,2-ethylene-di-yl-bis-L-cysteinate diethyl ester. It is used in conjunction with technetium Tc99m as a tracer to measure cerebral blood flow with single-photon emission computed tomography (SPECT). The complex of bicisate and technetium Tc99m as a kit was developed by Lantheus Medcl and FDA-approved on November 23, 1994.

CAS Number121251-02-3
PubChem CID72048
IUPAC Nameethyl (2R)-2-[2-[[(2R)-1-ethoxy-1-oxo-3-sulfanylpropan-2-yl]amino]ethylamino]-3-sulfanylpropanoate
Molecular FormulaC12H24N2O4S2
Molecular Weight324.5
XLogP0.6
Topological Polar Surface Area78.7
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count8
Rotatable Bond Count13
Heavy Atom Count20
Formal Charge0
Complexity265
SMILES
CCOC(=O)[C@H](CS)NCCN[C@@H](CS)C(=O)OCC
InChI
InChI=1S/C12H24N2O4S2/c1-3-17-11(15)9(7-19)13-5-6-14-10(8-20)12(16)18-4-2/h9-10,13-14,19-20H,3-8H2,1-2H3/t9-,10-/m0/s1
InChIKey
RZQNBTMGBODDSK-UWVGGRQHSA-N
Chemical Structure
2D Structure
2D structure of Bicisate
CAS: 121251-02-3
CID: 72048
Formula: C12H24N2O4S2
MW: 324.5
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight324.5
XLogP30.6
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count8
Rotatable Bond Count13
Exact Mass324.11774960
Monoisotopic Mass324.11774960
Topological Polar Surface Area78.7 Ų
Heavy Atom Count20
Formal Charge0
Complexity265
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
MBS5780075Bicisate dihydrochloride
RM-B524001-01N-Nitroso-Bicisate
GTR19195407-01Bicisate (Free base)

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