DEPREOTIDE TRIFLUOROACETATE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C65H96N16O12S2.C2HF3O2
Molecular Weight	1471.711
Optical Activity	UNSPECIFIED
Defined Stereocenters	10 / 10
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of DEPREOTIDE TRIFLUOROACETATE

Structure Search

SMILES

OC(=O)C(F)(F)F.CC(C)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](CC2=CNC3=C2C=CC=C3)NC(=O)[C@H](CC4=CC=C(O)C=C4)NC(=O)[C@H](CC5=CC=CC=C5)N(C)C(=O)[C@H](CCSCC(=O)NC[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CS)C(=O)N[C@@H](CCCCN)C(N)=O)NC1=O

InChI

InChIKey=ULBLQSNGKAZIES-KTABZWLNSA-N

InChI=1S/C65H96N16O12S2.C2HF3O2/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;3-2(4,5)1(6)7/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);(H,6,7)/t44-,46-,47-,48-,49-,50-,51+,52-,53-,55-;/m0./s1

HIDE SMILES / InChI

Molecular Formula	C65H96N16O12S2
Molecular Weight	1357.688
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	10 / 10
E/Z Centers	2
Optical Activity	UNSPECIFIED

Molecular Formula	C2HF3O2
Molecular Weight	114.0233
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Description
Sources: https://www.accessdata.fda.gov/drugsatfda_docs/label/2004/21012s007lbl.pdf | https://www.drugfuture.com/chemdata/depreotide.html | https://www.rxlist.com/neotect-drug.htm | https://www.ema.europa.eu/en/documents/product-information/neospect-epar-product-information_en.pdf

Depreotide is an ingredient in the diagnostic aid (radioactive imaging agent). Technetium Tc 99m labeled depreotide is a scintigraphic imaging agent that identifies somatostatin receptor-bearing pulmonary masses in patients presenting with pulmonary lesions on computed tomography and/or chest x-ray who have known malignancy or who are highly suspect for malignancy. Adverse events were evaluated in clinical studies of 647 adults. Deaths did not occur during the clinical study period. After Technetium Tc 99m Depreotide Injection, serious adverse events were not reported. Headache was the most commonly reported adverse event. EMA withdrew depreotide containing agent NeoSpect.

Approval Year

Patents

Sample Use Guides

In Vivo Use Guide

Single dose of 15 to 20 mCi containing approximately 47ug of Technetium Tc 99m radiolabeled Depreotide peptide.

Route of Administration: Intravenous

Substance Class	Chemical Created by `admin` on `Fri Dec 15 22:06:10 GMT 2023` Edited by `admin` on `Fri Dec 15 22:06:10 GMT 2023`
Record UNII	41103DW4UG
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

DEPREOTIDE TRIFLUOROACETATE

Common Name

English

NEOSPECT

Brand Name

English

CYCLO(L-HOMOCYSTEINYL-N-METHYL-L-PHENYLALANYL-L-TYROSYL-D-TRYPTOPHYL-L-LYSYL-L-VALYL), (1->1')-THIOETHER WITH 3-((2-MERCAPTOACETYL)AMINO)-L-ALANYL-L-LYSYL-L-CYSTEINYL-L-LYSINAMIDE, 2,2,2-TRIFLUOROACETATE

Common Name

English

Classification Tree Code System Code

EMA ASSESSMENT REPORTS

NEOSPECT (WITHDRAWN: RADIONUCLIDE IMAGING)