TECHNETIUM TC-99M ETHYLENEDIAMINE N,N'-DIACETIC ACID/HYDRAZINONICOTINAMIDE-TYR3-OCTREOTIDE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C55H69N13O12S2Tc.C6H11N2O4.C6H10N2O4
Molecular Weight	1616.57
Optical Activity	UNSPECIFIED
Defined Stereocenters	10 / 10
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of TECHNETIUM TC-99M ETHYLENEDIAMINE N,N'-DIACETIC ACID/HYDRAZINONICOTINAMIDE-TYR3-OCTREOTIDE

Structure Search

SMILES

OC(=O)CNCCNCC([O-])=O.[O-]C(=O)CNCCNCC([O-])=O.C[C@@H](O)[C@@H](CO)NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](CC2=CC=CC=C2)NC(=O)C3=CC=C(NN=[99Tc+3])N=C3)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

InChI

InChIKey=BHDKCRZDRQYHDH-JMGZEQTNSA-K

InChI=1S/C55H69N13O12S2.2C6H12N2O4.Tc/c1-30(70)43(27-69)64-54(79)45-29-82-81-28-44(65-51(76)40(22-32-10-4-3-5-11-32)61-48(73)34-17-20-46(68-57)59-25-34)53(78)62-41(23-33-15-18-36(72)19-16-33)50(75)63-42(24-35-26-58-38-13-7-6-12-37(35)38)52(77)60-39(14-8-9-21-56)49(74)67-47(31(2)71)55(80)66-45;2*9-5(10)3-7-1-2-8-4-6(11)12;/h3-7,10-13,15-20,25-26,30-31,39-45,47,58,69-72H,8-9,14,21-24,27-29,56H2,1-2H3,(H,59,68)(H,60,77)(H,61,73)(H,62,78)(H,63,75)(H,64,79)(H,65,76)(H,66,80)(H,67,74);2*7-8H,1-4H2,(H,9,10)(H,11,12);/q;;;+3/p-3/t30-,31-,39+,40-,41+,42-,43-,44+,45+,47+;;;/m1.../s1/i;;;1+1

HIDE SMILES / InChI

Molecular Formula	C55H68N13O12S2Tc
Molecular Weight	1266.245
Charge	2
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry
Defined Stereocenters	10 / 10
E/Z Centers	3
Optical Activity	UNSPECIFIED

Molecular Formula	C6H12N2O4
Molecular Weight	176.1705
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Tue Apr 01 23:43:05 GMT 2025` Edited by `admin` on `Tue Apr 01 23:43:05 GMT 2025`
Record UNII	534I87AT7J
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

HYNIC (TYR3)-OCTREOTIDE TECHNETIUM TC-99M

Preferred Name

English

TECHNETIUM TC-99M ETHYLENEDIAMINE N,N'-DIACETIC ACID/HYDRAZINONICOTINAMIDE-TYR3-OCTREOTIDE

Common Name

English

99mTc-ethylenediamine N,N’-diacetic acid/hydrazinonicotinamide-Tyr3-octreotide

Common Name

English

99mTc-HYNIC-TOC

Common Name

English

99MTC-HYNIC (TYR3)-OCTREOTIDE

Common Name

English

TECHNETIUM (99m Tc) 6-HYDRAZINONICOTINIC-[D-PHE1,TYR3-OCTREOTIDE]

Common Name

English

99mTc-EDDA/HYNIC-TOC

Common Name

English

Classification Tree Code System Code

FDA ORPHAN DRUG

661918