NC-100668 TC-99m

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C83H141IN22O23.2O.Tc
Molecular Weight	2072.9508
Optical Activity	UNSPECIFIED
Defined Stereocenters	13 / 13
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[O--].[O--].[99Tc+4].CCC(C)(C)NCCN(CCNC(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](CC1=CC(I)=C(O)C=C1)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(C)=O)C(C)C)[C@@H](C)O)CCNC(C)(C)C(\C)=N\O

InChI

InChIKey=NAEQGNBDGQRREM-ACJRLMHLSA-N

InChI=1S/C83H141IN22O23.2O.Tc/c1-15-82(11,12)91-31-35-105(36-32-92-83(13,14)48(9)104-129)34-30-89-66(114)42-90-70(117)52(19-16-17-29-85)94-74(121)56(37-44(2)3)98-75(122)57(38-45(4)5)100-80(127)69(47(8)108)103-77(124)58(40-50-21-25-62(110)51(84)39-50)99-78(125)61-20-18-33-106(61)81(128)60(43-107)101-79(126)68(46(6)7)102-73(120)54(23-27-64(87)112)95-72(119)55(24-28-67(115)116)96-71(118)53(22-26-63(86)111)97-76(123)59(41-65(88)113)93-49(10)109;;;/h21,25,39,44-47,52-61,68-69,91-92,107-108,110,129H,15-20,22-24,26-38,40-43,85H2,1-14H3,(H2,86,111)(H2,87,112)(H2,88,113)(H,89,114)(H,90,117)(H,93,109)(H,94,121)(H,95,119)(H,96,118)(H,97,123)(H,98,122)(H,99,125)(H,100,127)(H,101,126)(H,102,120)(H,103,124)(H,115,116);;;/q;2*-2;+4/b104-48+;;;/t47-,52+,53+,54+,55+,56+,57+,58+,59+,60+,61+,68+,69+;;;/m1.../s1/i;;;1+1

HIDE SMILES / InChI

Molecular Formula	Tc
Molecular Weight	98.9063
Charge	4
Count

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

Molecular Formula	C83H141IN22O23
Molecular Weight	1942.0457
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	13 / 13
E/Z Centers	1
Optical Activity	UNSPECIFIED

Molecular Formula	O
Molecular Weight	15.9994
Charge	-2
Count

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

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 12:12:55 GMT 2023` Edited by `admin` on `Sat Dec 16 12:12:55 GMT 2023`
Record UNII	R8S6NAJ6P8
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

NC-100668 TC-99m

Code

English

(4S)-4-(((2S)-2-(((2S)-2-ACETAMIDO-4-AMINO-4-OXO-BUTANOYL)AMINO)-5-AMINO-5-OXO-PENTANOYL)AMINO)-5-(((1S)-4-AMINO-1-(((1S)-1-(((1S)-2-((2S)-2-(((1S)-2-(((1S)-1-(((1S)-1-(((1S)-1-(((1S)-5-AMINO-1-((2-(2-(BIS(2-(((2E)-2-HYDROXYIMINO-1,1-DIMETHYL-PROPYL)AMIN

Systematic Name

English

NC100668 TC-99m

Code

English

99mTc-NC100668

Code

English

Code System Code Type Description

FDA UNII

R8S6NAJ6P8

Created by admin on Sat Dec 16 12:12:55 GMT 2023 , Edited by admin on Sat Dec 16 12:12:55 GMT 2023

PRIMARY

CAS

250786-60-8

Created by admin on Sat Dec 16 12:12:55 GMT 2023 , Edited by admin on Sat Dec 16 12:12:55 GMT 2023

PRIMARY

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NC-100668 TC-99m

ACTIVE MOIETY

Comments:

(99m)Tc-NC100668 was rapidly absorbed into and retained by blood clots and was not significantly affected by the presence of unfractionated or low molecular weight heparin or thrombin inhibitor. Tissue plasminogen activator reduced the uptake of (99m)Tc-NC100668 into blood clot by a factor of 3 when adjusted to allow for changes in the weight of the blood clot. This study has demonstrated that the uptake and retention of (99m)Tc-NC100668 into blood clots in the rat model of deep vein thrombosis is rapid and maintained over at least a 4 h. post-injection period. It has been shown that (99m)Tc-NC100668 is retained in blood clots even in the presence of therapeutic doses of those anticoagulant and thrombolytic therapies typically used to treat pulmonary embolism and venous thrombosis.

Amount: