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Chemistry

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Also known as: Neotect, Technetium tc 99m depreotide, Technetium tc-99m depreotide, 9m48m2sf02, 174900-52-8, Unii-9m48m2sf02

Molecular Formula

C₆₅H₉₆N₁₆O₁₂S₂Tc

Molecular Weight

1454.6 g/mol

InChI Key

MCEOYGQHDKBYFT-KTABZWLNSA-N

FDA UNII

9M48M2SF02

Technetium tc-99m depreotide is a Radioactive Diagnostic Agent. The mechanism of action of technetium tc-99m depreotide is as a Radiopharmaceutical Activity.

1 2D Structure

Technetium Tc 99M Depreotide

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(2S)-6-amino-2-[[(2R)-2-[[(2S)-6-amino-2-[[(2S)-2-amino-3-[[2-[2-[(2S,5S,8S,11R,14S,17S)-14-(4-aminobutyl)-5-benzyl-8-[(4-hydroxyphenyl)methyl]-11-(1H-indol-3-ylmethyl)-4-methyl-3,6,9,12,15,18-hexaoxo-17-propan-2-yl-1,4,7,10,13,16-hexazacyclooctadec-2-yl]ethylsulfanyl]acetyl]amino]propanoyl]amino]hexanoyl]amino]-3-sulfanylpropanoyl]amino]hexanamide;technetium

2.1.2 InChI

InChI=1S/C65H96N16O12S2.Tc/c1-38(2)55-64(92)76-49(26-30-95-37-54(83)72-35-44(69)57(85)74-47(20-10-13-28-67)58(86)79-52(36-94)62(90)73-46(56(70)84)19-9-12-27-66)65(93)81(3)53(32-39-15-5-4-6-16-39)63(91)78-50(31-40-22-24-42(82)25-23-40)60(88)77-51(33-41-34-71-45-18-8-7-17-43(41)45)61(89)75-48(59(87)80-55)21-11-14-29-68;/h4-8,15-18,22-25,34,38,44,46-53,55,71,82,94H,9-14,19-21,26-33,35-37,66-69H2,1-3H3,(H2,70,84)(H,72,83)(H,73,90)(H,74,85)(H,75,89)(H,76,92)(H,77,88)(H,78,91)(H,79,86)(H,80,87);/t44-,46-,47-,48-,49-,50-,51+,52-,53-,55-;/m0./s1

2.1.3 InChI Key

MCEOYGQHDKBYFT-KTABZWLNSA-N

2.1.4 Canonical SMILES

CC(C)C1C(=O)NC(C(=O)N(C(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1)CCCCN)CC2=CNC3=CC=CC=C32)CC4=CC=C(C=C4)O)CC5=CC=CC=C5)C)CCSCC(=O)NCC(C(=O)NC(CCCCN)C(=O)NC(CS)C(=O)NC(CCCCN)C(=O)N)N.[Tc]

2.1.5 Isomeric SMILES

CC(C)[C@H]1C(=O)N[C@H](C(=O)N([C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N1)CCCCN)CC2=CNC3=CC=CC=C32)CC4=CC=C(C=C4)O)CC5=CC=CC=C5)C)CCSCC(=O)NC[C@@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CS)C(=O)N[C@@H](CCCCN)C(=O)N)N.[Tc]

2.2 Other Identifiers

2.2.1 UNII

9M48M2SF02

2.3 Synonyms

2.3.1 MeSH Synonyms

1. Neotec

2. Tc-99m Depreotide

3. Technetium Tc 99m Depreotide

2.3.2 Depositor-Supplied Synonyms

1. Neotect

2. Technetium Tc 99m Depreotide

3. Technetium Tc-99m Depreotide

4. 9m48m2sf02

5. 174900-52-8

6. Unii-9m48m2sf02

7. Neotec

8. Tc-99m Depreotide

9. Technetium Tc 99m Depreotide [who-dd]

10. Technetium Tc 99m Depreotide [usp Impurity]

11. Technetium Tc-99m Depreotide [orange Book]

12. Q27272728

13. Technetium-99tc, (cyclo(l-homocysteinyl-n-methyl-l-phenylalanyl-l-tyrosyl-d-tryptophyl-l-lysyl-l-valyl) (1-1')-thioether With 3-((mercaptoacetyl)amino)-l-alanyl-l-lysyl-l-cysteinyl-l-lysinamidato(3-))oxo-, (sp-5-24)-

14. Technetium-99tc, (cyclo(l-homocysteinyl-n-methyl-l-phenylalanyl-l-tyrosyl-d-tryptophyl-l-lysyl-l-valyl)(1-1')-sulfide With 3-((mercaptoacetyl)amino)-l-alanyl-l-lysyl-l-cysteinyl-l-lysinamidato(3-))oxo-, (sp-5-24)-

2.4 Create Date

2014-03-02

3 Chemical and Physical Properties

Molecular Formula	C₆₅H₉₆N₁₆O₁₂S₂Tc
Molecular Weight	1454.6 g/mol
Hydrogen Bond Donor Count	17
Hydrogen Bond Acceptor Count	18
Rotatable Bond Count	34
Exact Mass	1453.58987 g/mol
Monoisotopic Mass	1453.58987 g/mol
Topological Polar Surface Area	492 Å²
Heavy Atom Count	96
Formal Charge	0
Complexity	2490
Isotope Atom Count	0
Defined Atom Stereocenter Count	10
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	2

4 Drug and Medication Information

4.1 Drug Indication

This medicinal product is for diagnostic use only.

For scintigraphic imaging of suspected malignant tumours in the lung after initial detection, in

combination with CT scan or chest X-ray, in patients with solitary pulmonary nodules.

5 Pharmacology and Biochemistry

5.1 FDA Pharmacological Classification

5.1.1 Active Moiety

TECHNETIUM TC-99M DEPREOTIDE

5.1.2 FDA UNII

9M48M2SF02

5.1.3 Pharmacological Classes

Mechanisms of Action [MoA] - Radiopharmaceutical Activity

5.2 ATC Code

V09IA05

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Technetium Tc 99M Depreotide

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