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Thyromedan HCl

CAT: 0013-GTR19241929-02Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19241929-02Size:10 mg
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Description
Thyromedan is a small molecule research compound synthesized from thiofatty acids, known for its hypocholesterolemic properties. It is utilized in biochemical research to study lipid metabolism and evaluate potential therapeutic effects in both in vitro and in vivo experimental models.
CAS Number
57-65-8
Smiles
Cl.O=C (OCCN (CC) CC) CC1=CC (I) =C (OC2=CC=C (OC) C (I) =C2) C (I) =C1
Molecular Formula
C21H25ClI3NO4
Molecular Weight
771.59
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Thyromedan hydrochloride
CAS Number57-65-8
PubChem CID151112
IUPAC Name2-(diethylamino)ethyl 2-[3,5-diiodo-4-(3-iodo-4-methoxyphenoxy)phenyl]acetate;hydrochloride
Molecular FormulaC21H25ClI3NO4
Molecular Weight771.6
Topological Polar Surface Area48
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count11
Heavy Atom Count30
Formal Charge0
Complexity483
SMILES
CCN(CC)CCOC(=O)CC1=CC(=C(C(=C1)I)OC2=CC(=C(C=C2)OC)I)I.Cl
InChI
InChI=1S/C21H24I3NO4.ClH/c1-4-25(5-2)8-9-28-20(26)12-14-10-17(23)21(18(24)11-14)29-15-6-7-19(27-3)16(22)13-15;/h6-7,10-11,13H,4-5,8-9,12H2,1-3H3;1H
InChIKey
MNIDQQFSKKUQGQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Thyromedan hydrochloride
CAS: 57-65-8
CID: 151112
Formula: C21H25ClI3NO4
MW: 771.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight771.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count11
Exact Mass770.8606
Monoisotopic Mass770.8606
Topological Polar Surface Area48 Ų
Heavy Atom Count30
Formal Charge0
Complexity483
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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