Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C69H91N14O17S2.Ga |
| Molecular Weight | 1520.602 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 10 / 10 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
[68Ga+3].C[C@@H](O)[C@@H](CO)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=C5C=CC=CC5=CC=C4)C(=O)N[C@H](CC6=CNC7=C6C=CC=C7)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1
InChI
InChIKey=WLCSPWJAQXJSCS-ZALMWWTDSA-K
InChI=1S/C69H94N14O17S2.Ga/c1-42(85)55(39-84)76-68(99)57-41-102-101-40-56(77-64(95)52(31-44-13-4-3-5-14-44)72-58(87)35-80-23-25-81(36-59(88)89)27-29-83(38-61(92)93)30-28-82(26-24-80)37-60(90)91)67(98)75-53(32-46-17-12-16-45-15-6-7-18-48(45)46)66(97)74-54(33-47-34-71-50-20-9-8-19-49(47)50)65(96)73-51(21-10-11-22-70)63(94)79-62(43(2)86)69(100)78-57;/h3-9,12-20,34,42-43,51-57,62,71,84-86H,10-11,21-33,35-41,70H2,1-2H3,(H,72,87)(H,73,96)(H,74,97)(H,75,98)(H,76,99)(H,77,95)(H,78,100)(H,79,94)(H,88,89)(H,90,91)(H,92,93);/q;+3/p-3/t42-,43-,51+,52-,53+,54-,55-,56+,57+,62+;/m1./s1/i;1-2
| Molecular Formula | C69H91N14O17S2 |
| Molecular Weight | 1452.674 |
| Charge | -3 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 10 / 10 |
| E/Z Centers | 1 |
| Optical Activity | UNSPECIFIED |
| Molecular Formula | Ga |
| Molecular Weight | 67.927983497 |
| Charge | 3 |
| 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
Edited
Tue Apr 01 21:49:31 GMT 2025
by
admin
on
Tue Apr 01 21:49:31 GMT 2025
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| Record UNII |
8AHG0Z4Z5M
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| Record Status |
Validated (UNII)
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| Record Version |
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-
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| Classification Tree | Code System | Code | ||
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FDA ORPHAN DRUG |
734120
Created by
admin on Tue Apr 01 21:49:31 GMT 2025 , Edited by admin on Tue Apr 01 21:49:31 GMT 2025
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| Code System | Code | Type | Description | ||
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8AHG0Z4Z5M
Created by
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300000052292
Created by
admin on Tue Apr 01 21:49:31 GMT 2025 , Edited by admin on Tue Apr 01 21:49:31 GMT 2025
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135391021
Created by
admin on Tue Apr 01 21:49:31 GMT 2025 , Edited by admin on Tue Apr 01 21:49:31 GMT 2025
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1040397-47-4
Created by
admin on Tue Apr 01 21:49:31 GMT 2025 , Edited by admin on Tue Apr 01 21:49:31 GMT 2025
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PRIMARY |
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TARGET->RADIOLIGAND |
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PARENT -> SALT/SOLVATE |
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NON-LABELED -> LABELED |
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ACTIVE MOIETY |
Shows high radioligand uptake in the liver and bone metastases.
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