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2D Structure
Also known as: 99mtc-hida, Moli000943, 2-[carboxymethyl-[2-(2,6-dimethylanilino)-2-oxoethyl]amino]acetic acid;technetium-99
Molecular Formula
C14H18N2O5Tc
Molecular Weight
393.21  g/mol
InChI Key
QWQBDAUZJBGOHJ-IEOVAKBOSA-N

A gamma-emitting RADIONUCLIDE IMAGING agent used in the evaluation of regional cerebral blood flow and in non-invasive dynamic biodistribution studies and MYOCARDIAL PERFUSION IMAGING. It has also been used to label leukocytes in the investigation of INFLAMMATORY BOWEL DISEASES.
1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
2-[carboxymethyl-[2-(2,6-dimethylanilino)-2-oxoethyl]amino]acetic acid;technetium-99
2.1.2 InChI
InChI=1S/C14H18N2O5.Tc/c1-9-4-3-5-10(2)14(9)15-11(17)6-16(7-12(18)19)8-13(20)21;/h3-5H,6-8H2,1-2H3,(H,15,17)(H,18,19)(H,20,21);/i;1+1
2.1.3 InChI Key
QWQBDAUZJBGOHJ-IEOVAKBOSA-N
2.1.4 Canonical SMILES
CC1=C(C(=CC=C1)C)NC(=O)CN(CC(=O)O)CC(=O)O.[Tc]
2.1.5 Isomeric SMILES
CC1=C(C(=CC=C1)C)NC(=O)CN(CC(=O)O)CC(=O)O.[99Tc]
2.2 Synonyms
2.2.1 MeSH Synonyms

1. 99m-tc-hmpao

2. 99mtc-hmpao

3. Tc 99m Exametazime

4. Tc 99m Hexamethylpropyleneamine Oxime

5. Tc-99m Hmpao

6. Tc-99m-exametazime

7. Tc-99m-hexamethylpropyleneamine Oxime

8. Technetium Tc 99m Exametazime

9. Technetium Tc 99m Hexamethylpropylene Amine Oxime

10. Technetium Tc 99m Hexamethylpropylene-amine Oxime

11. Technetium Tc 99m Hexamethylpropyleneamine Oxime

2.2.2 Depositor-Supplied Synonyms

1. 99mtc-hida

2. Moli000943

3. 2-[carboxymethyl-[2-(2,6-dimethylanilino)-2-oxoethyl]amino]acetic Acid;technetium-99

2.3 Create Date
2005-03-27
3 Chemical and Physical Properties
Molecular Weight 393.21 g/mol
Molecular Formula C14H18N2O5Tc
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count7
Exact Mass393.027821 g/mol
Monoisotopic Mass393.027821 g/mol
Topological Polar Surface Area107 Ų
Heavy Atom Count22
Formal Charge0
Complexity373
Isotope Atom Count1
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count2
4 Drug and Medication Information
4.1 Drug Information
1 of 1  
Drug NameCeretec
Active IngredientTechnetium tc-99m exametazime
Dosage FormInjectable
RouteInjection
Strengthn/a
Market StatusPrescription
CompanyGe Healthcare

5 Pharmacology and Biochemistry
5.1 MeSH Pharmacological Classification

Radiopharmaceuticals

Compounds that are used in medicine as sources of radiation for radiotherapy and for diagnostic purposes. They have numerous uses in research and industry. (Martindale, The Extra Pharmacopoeia, 30th ed, p1161) (See all compounds classified as Radiopharmaceuticals.)