OXODOTREOTIDE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C65H90N14O19S2
Molecular Weight	1435.623
Optical Activity	UNSPECIFIED
Defined Stereocenters	10 / 10
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC(O)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](CC2=CC=CC=C2)NC(=O)CN3CCN(CC(O)=O)CCN(CC(O)=O)CCN(CC(O)=O)CC3)C(=O)N[C@@H](CC4=CC=C(O)C=C4)C(=O)N[C@H](CC5=CNC6=C5C=CC=C6)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1)C(O)=O

InChI

InChIKey=QVFLVLMYXXNJDT-CSBVGUNJSA-N

InChI=1S/C65H90N14O19S2/c1-38(80)56-64(96)73-51(63(95)75-57(39(2)81)65(97)98)37-100-99-36-50(72-59(91)47(28-40-10-4-3-5-11-40)68-52(83)32-76-20-22-77(33-53(84)85)24-26-79(35-55(88)89)27-25-78(23-21-76)34-54(86)87)62(94)70-48(29-41-15-17-43(82)18-16-41)60(92)71-49(30-42-31-67-45-13-7-6-12-44(42)45)61(93)69-46(58(90)74-56)14-8-9-19-66/h3-7,10-13,15-18,31,38-39,46-51,56-57,67,80-82H,8-9,14,19-30,32-37,66H2,1-2H3,(H,68,83)(H,69,93)(H,70,94)(H,71,92)(H,72,91)(H,73,96)(H,74,90)(H,75,95)(H,84,85)(H,86,87)(H,88,89)(H,97,98)/t38-,39-,46+,47-,48+,49-,50+,51+,56+,57+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C65H90N14O19S2
Molecular Weight	1435.623
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	10 / 10
E/Z Centers	1
Optical Activity	UNSPECIFIED

Description
Sources: https://www.accessdata.fda.gov/drugsatfda_docs/label/2018/208700s000lbl.pdf | https://www.accessdata.fda.gov/drugsatfda_docs/label/2018/208547s011lbl.pdf

Dotatate, also known as DOTA-0-Tyr3-Octreotate, is a cyclic 8 amino acid peptide with a covalently bound chelator (dota). The peptide has the amino acid sequence: H-D-Phe-Cys-Tyr-D-Trp-Lys-ThrCys-Thr-OH, and contains one disulfide bond. After radiolabeling with Ga 68 (NETSPOT®) or with Lu 177 (LUTATHERA®), it is indicated for use with positron emission tomography (PET) for localization of somatostatin receptor positive neuroendocrine tumors (NETs) in adult and pediatric patients.

Approval Year

Conditions

Condition	Modality	Targets	Highest Phase	Product
Neuroendocrine tumors 5 Sources: https://www.accessdata.fda.gov/drugsatfda_docs/label/2018/208547s011lbl.pdf	Inactive ingredient		Approved 8429	NETSPOT Approved Use Netspot, after radiolabeling with Ga 68, is indicated for use with positron emission tomography (PET) for localization of somatostatin receptor positive neuroendocrine tumors (NETs) in adult and pediatric patients. Launch Date 2016

Substance Class	Chemical Created by `admin` on `Sat Dec 16 01:31:25 GMT 2023` Edited by `admin` on `Sat Dec 16 01:31:25 GMT 2023`
Record UNII	MRL3739G66
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

OXODOTREOTIDE

Common Name

English

DOTATATE

Preferred Name

English

4,7,10-TRICARBOXYMETHYL-1,4,7,10-TETRAAZA-CYCLODODECAN-1-YL-ACETYL-D-PHE-CYS-TYR-D-TRP-LYS-THR-CYS-THR-OH, (DISULFIDE BOND) ACETATE

Common Name

English

DOTA-TATE

Common Name

English

DOTA-OCTREOTATE

Common Name

English

Code System Code Type Description

RXCUI

1797118