Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C63H84IN11O23.Ga.5H |
| Molecular Weight | 1563.2731 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 6 / 6 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
[H+].[H+].[H+].[H+].[H+].[68Ga+3].OC1=CC=C(C[C@@H](NC(=O)CC[C@@H](N2CCN(CC([O-])=O)CCN(CC([O-])=O)CCN(CC([O-])=O)CC2)C([O-])=O)C(=O)N[C@H](CC3=CC=CC=C3)C(=O)N[C@H](CCCCNC(=O)CCCCCCC(=O)NCCCC[C@H](NC(=O)N[C@@H](CCC([O-])=O)C([O-])=O)C([O-])=O)C([O-])=O)C=C1I
InChI
InChIKey=TUTVSBIBTOVSSC-XRXWOIDUSA-K
InChI=1S/C63H92IN11O23.Ga/c64-42-34-41(18-21-49(42)76)36-46(67-52(79)22-20-48(62(96)97)75-32-30-73(38-55(84)85)28-26-72(37-54(82)83)27-29-74(31-33-75)39-56(86)87)57(88)69-47(35-40-12-4-3-5-13-40)58(89)68-43(59(90)91)14-8-10-24-65-50(77)16-6-1-2-7-17-51(78)66-25-11-9-15-44(60(92)93)70-63(98)71-45(61(94)95)19-23-53(80)81;/h3-5,12-13,18,21,34,43-48,76H,1-2,6-11,14-17,19-20,22-33,35-39H2,(H,65,77)(H,66,78)(H,67,79)(H,68,89)(H,69,88)(H,80,81)(H,82,83)(H,84,85)(H,86,87)(H,90,91)(H,92,93)(H,94,95)(H,96,97)(H2,70,71,98);/q;+3/p-3/t43-,44+,45+,46-,47-,48-;/m1./s1/i;1-2
| Molecular Formula | Ga |
| Molecular Weight | 67.927983497 |
| Charge | 3 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
| Molecular Formula | C63H89IN11O23 |
| Molecular Weight | 1495.3451 |
| Charge | -3 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | |
| Defined Stereocenters | 6 / 6 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Mon Mar 31 23:38:33 GMT 2025
by
admin
on
Mon Mar 31 23:38:33 GMT 2025
|
| Record UNII |
2J7B4YK0ZO
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| Record Status |
Validated (UNII)
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| Record Version |
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-
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Common Name | English | ||
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Preferred Name | English | ||
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Common Name | English | ||
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Common Name | English |
| Code System | Code | Type | Description | ||
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2231656-28-1
Created by
admin on Mon Mar 31 23:38:33 GMT 2025 , Edited by admin on Mon Mar 31 23:38:33 GMT 2025
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NON-SPECIFIC STEREOCHEMISTRY | |||
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2J7B4YK0ZO
Created by
admin on Mon Mar 31 23:38:33 GMT 2025 , Edited by admin on Mon Mar 31 23:38:33 GMT 2025
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PRIMARY | |||
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171389981
Created by
admin on Mon Mar 31 23:38:33 GMT 2025 , Edited by admin on Mon Mar 31 23:38:33 GMT 2025
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PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
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TARGET->RADIOLIGAND |
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NON-LABELED -> LABELED |
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| Related Record | Type | Details | ||
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ACTIVE MOIETY |
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