Details
Stereochemistry | EPIMERIC |
Molecular Formula | C73H92ClN18O21S2.Ga |
Molecular Weight | 1725.131 |
Optical Activity | UNSPECIFIED |
Defined Stereocenters | 10 / 11 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
[68Ga+3].[H][C@]2(CC1=CC=C(NC(N)=O)C=C1)NC(=O)[C@H](CC3=CC=C(NC(=O)[C@@H]4CC(=O)NC(=O)N4)C=C3)NC(=O)[C@@H](CSSC[C@H](NC(=O)[C@@]([H])(NC(=O)[C@H](CCCCN)NC2=O)[C@@H](C)O)C(=O)N[C@H](CC5=CC=C(O)C=C5)C(N)=O)NC(=O)[C@H](CC6=CC=C(Cl)C=C6)NC(=O)CCC(N7CCN(CC([O-])=O)CCN(CC([O-])=O)CC7)C([O-])=O
InChI
InChIKey=LCHQKCSUBRDBKC-AMIDDMQRSA-K
InChI=1S/C73H95ClN18O21S2.Ga/c1-39(93)61-70(109)86-55(68(107)82-49(62(76)101)30-43-11-19-47(94)20-12-43)38-115-114-37-54(85-65(104)50(31-40-5-13-44(74)14-6-40)80-57(95)22-21-56(71(110)111)92-28-26-90(35-59(97)98)24-25-91(27-29-92)36-60(99)100)69(108)84-52(33-41-7-15-45(16-8-41)78-64(103)53-34-58(96)88-73(113)87-53)67(106)83-51(32-42-9-17-46(18-10-42)79-72(77)112)66(105)81-48(63(102)89-61)4-2-3-23-75;/h5-20,39,48-56,61,93-94H,2-4,21-38,75H2,1H3,(H2,76,101)(H,78,103)(H,80,95)(H,81,105)(H,82,107)(H,83,106)(H,84,108)(H,85,104)(H,86,109)(H,89,102)(H,97,98)(H,99,100)(H,110,111)(H3,77,79,112)(H2,87,88,96,113);/q;+3/p-3/t39-,48+,49-,50+,51-,52+,53+,54-,55+,56?,61+;/m1./s1/i;1-2
Molecular Formula | C73H92ClN18O21S2 |
Molecular Weight | 1657.203 |
Charge | -3 |
Count |
|
Stereochemistry | EPIMERIC |
Additional Stereochemistry | No |
Defined Stereocenters | 10 / 11 |
E/Z Centers | 5 |
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 13:46:36 UTC 2023
by
admin
on
Sat Dec 16 13:46:36 UTC 2023
|
Record UNII |
ZP2ODR0UR3
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Record Status |
Validated (UNII)
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Record Version |
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-
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Code | English | ||
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Code | English |
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FDA ORPHAN DRUG |
449514
Created by
admin on Sat Dec 16 13:46:37 UTC 2023 , Edited by admin on Sat Dec 16 13:46:37 UTC 2023
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SUB195498
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165411930
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C116710
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100000181731
Created by
admin on Sat Dec 16 13:46:37 UTC 2023 , Edited by admin on Sat Dec 16 13:46:37 UTC 2023
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ZP2ODR0UR3
Created by
admin on Sat Dec 16 13:46:37 UTC 2023 , Edited by admin on Sat Dec 16 13:46:37 UTC 2023
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PRIMARY |
Related Record | Type | Details | ||
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TARGET -> INHIBITOR |
ANTAGONIST
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NON-LABELED -> LABELED |
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TARGET->RADIOLIGAND |
ANTAGONIST
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Related Record | Type | Details | ||
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ACTIVE MOIETY |