Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C78H115N20O19.Ga |
| Molecular Weight | 1704.7983 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 9 / 9 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
[68Ga+3].CC(C)C[C@H](NC(=O)[C@H](CC1=CNC=N1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CC2=CNC3=C2C=CC=C3)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](CC4=CC=CC=C4)NC(=O)CN5CCC(CC5)NC(=O)CN6CCN(CC([O-])=O)CCN(CC([O-])=O)CCN(CC([O-])=O)CC6)C(C)C)[C@@H](O)CC(=O)N[C@@H](CC(C)C)C(N)=O
InChI
InChIKey=HPQFXKMKTOABLV-OACIABJLSA-K
InChI=1S/C78H118N20O19.Ga/c1-46(2)31-57(62(99)36-64(101)87-58(72(80)111)32-47(3)4)91-77(116)61(35-53-38-81-45-84-53)88-65(102)39-83-78(117)71(48(5)6)93-73(112)49(7)85-75(114)60(34-51-37-82-55-16-12-11-15-54(51)55)92-74(113)56(17-18-63(79)100)90-76(115)59(33-50-13-9-8-10-14-50)89-67(104)41-94-21-19-52(20-22-94)86-66(103)40-95-23-25-96(42-68(105)106)27-29-98(44-70(109)110)30-28-97(26-24-95)43-69(107)108;/h8-16,37-38,45-49,52,56-62,71,82,99H,17-36,39-44H2,1-7H3,(H2,79,100)(H2,80,111)(H,81,84)(H,83,117)(H,85,114)(H,86,103)(H,87,101)(H,88,102)(H,89,104)(H,90,115)(H,91,116)(H,92,113)(H,93,112)(H,105,106)(H,107,108)(H,109,110);/q;+3/p-3/t49-,56-,57-,58-,59+,60-,61-,62-,71-;/m0./s1/i;1-2
| Molecular Formula | C78H115N20O19 |
| Molecular Weight | 1636.8703 |
| Charge | -3 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 9 / 9 |
| E/Z Centers | 4 |
| Optical Activity | UNSPECIFIED |
| Molecular Formula | Ga |
| Molecular Weight | 67.928 |
| 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
Sat Dec 16 09:03:26 UTC 2023
by
admin
on
Sat Dec 16 09:03:26 UTC 2023
|
| Record UNII |
NPI2H5M36D
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| Record Status |
Validated (UNII)
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| Record Version |
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300000042351
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C121773
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1444870-03-4
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72722205
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NPI2H5M36D
Created by
admin on Sat Dec 16 09:03:26 UTC 2023 , Edited by admin on Sat Dec 16 09:03:26 UTC 2023
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PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
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ACTIVE MOIETY |
Drugs: Gallium 68 RM2 (Primary); Indications: Prostate cancer; Focus: Diagnostic use; Most Recent Events: 22 Jun 2016 Planned End Date changed from 1 Apr 2017 to 1 Dec 2016., 12 Aug 2015 Status changed from recruiting to active, no longer recruiting as reported by ClinicalTrials.gov., 16 May 2015 New trial record
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ACTIVE MOIETY |
RESULTS: Three radioactive plasma metabolites were detected. The proportion of unchanged BAY 86-7548 decreased from 92% +/- 9% at 1 min after injection to 19% +/- 2% at 65 min. The organs with the highest absorbed doses were the urinary bladder wall (0.62 mSv/MBq) and the pancreas (0.51 mSv/MBq). The mean effective dose was 0.051 mSv/MBq. BAY 86-7548 was well tolerated by all subjects.
CONCLUSION: Intravenously injected BAY 86-7548 is safe, and rapid metabolism is demonstrated. A 150-MBq injection of BAY 86-7548 results in an effective dose of 7.7 mSv, which could be reduced to 5.7 mSv with frequent bladder voids.
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