Technetium Tc 99M Depreotide

Synopsis, Chemistry

DOSSIERs // Finished Dosage Formulations

1 Dossiers, 1 FDA Orange Book

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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