Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C21H19BrN4O2.C6H6O3S |
| Molecular Weight | 597.48 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 1 / 1 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
OS(=O)(=O)C1=CC=CC=C1.COC(=O)CC[C@H]2N=C(C3=NC=CC=C3)C4=C(C=CC(Br)=C4)N5C(C)=CN=C25
InChI
InChIKey=QMTKNJZIWGTNTE-UNTBIKODSA-N
InChI=1S/C21H19BrN4O2.C6H6O3S/c1-13-12-24-21-17(7-9-19(27)28-2)25-20(16-5-3-4-10-23-16)15-11-14(22)6-8-18(15)26(13)21;7-10(8,9)6-4-2-1-3-5-6/h3-6,8,10-12,17H,7,9H2,1-2H3;1-5H,(H,7,8,9)/t17-;/m1./s1
| Molecular Formula | C6H6O3S |
| Molecular Weight | 158.175 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
| Molecular Formula | C21H19BrN4O2 |
| Molecular Weight | 439.305 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 1 / 1 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Wed Apr 02 19:16:45 GMT 2025
by
admin
on
Wed Apr 02 19:16:45 GMT 2025
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| Record UNII |
P7U2PVA882
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| Record Status |
Validated (UNII)
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| Record Version |
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1449295-46-8
Created by
admin on Wed Apr 02 19:16:45 GMT 2025 , Edited by admin on Wed Apr 02 19:16:45 GMT 2025
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169444128
Created by
admin on Wed Apr 02 19:16:45 GMT 2025 , Edited by admin on Wed Apr 02 19:16:45 GMT 2025
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P7U2PVA882
Created by
admin on Wed Apr 02 19:16:45 GMT 2025 , Edited by admin on Wed Apr 02 19:16:45 GMT 2025
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PRIMARY |
| Related Record | Type | Details | ||
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PARENT -> SALT/SOLVATE |
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