Details
| Stereochemistry | ACHIRAL |
| Molecular Formula | C53H51N12O2 |
| Molecular Weight | 888.0512 |
| Optical Activity | NONE |
| Defined Stereocenters | 0 / 1 |
| E/Z Centers | 0 |
| Charge | 1 |
SHOW SMILES / InChI
SMILES
CC1=C(NC2=NC(=CC=N2)C3=CN=CC=C3)C=C(NC(=O)C4=CC=C(CN5CC[N+](C)(CC6=CC=C(C=C6)C(=O)NC7=CC(NC8=NC(=CC=N8)C9=CN=CC=C9)=C(C)C=C7)CC5)C=C4)C=C1
InChI
InChIKey=QBGARNIMTBRKNN-UHFFFAOYSA-O
InChI=1S/C53H50N12O2/c1-36-8-18-44(30-48(36)62-52-56-24-20-46(60-52)42-6-4-22-54-32-42)58-50(66)40-14-10-38(11-15-40)34-64-26-28-65(3,29-27-64)35-39-12-16-41(17-13-39)51(67)59-45-19-9-37(2)49(31-45)63-53-57-25-21-47(61-53)43-7-5-23-55-33-43/h4-25,30-33H,26-29,34-35H2,1-3H3,(H3-,56,57,58,59,60,61,62,63,66,67)/p+1
| Molecular Formula | C53H51N12O2 |
| Molecular Weight | 888.0512 |
| Charge | 1 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 1 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Wed Apr 02 17:31:12 GMT 2025
by
admin
on
Wed Apr 02 17:31:12 GMT 2025
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| Record UNII |
Q764ES8UCR
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| Record Status |
Validated (UNII)
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| Record Version |
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125280582
Created by
admin on Wed Apr 02 17:31:12 GMT 2025 , Edited by admin on Wed Apr 02 17:31:12 GMT 2025
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Q764ES8UCR
Created by
admin on Wed Apr 02 17:31:12 GMT 2025 , Edited by admin on Wed Apr 02 17:31:12 GMT 2025
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1821122-73-9
Created by
admin on Wed Apr 02 17:31:12 GMT 2025 , Edited by admin on Wed Apr 02 17:31:12 GMT 2025
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PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
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SALT/SOLVATE -> PARENT |
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IONIC MOIETY |
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![Structure of 1-Methyl-1,4-bis[[4-[[[4-methyl-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]phenyl]amino]carbonyl]phenyl]methyl]piperazinium iodide (1:1)](/img/4148b9e0-ac06-425f-a5a7-4ec0ac064bdd.svg "Structure of 1-Methyl-1,4-bis[[4-[[[4-methyl-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]phenyl]amino]carbonyl]phenyl]methyl]piperazinium iodide (1:1)")
