Details
| Stereochemistry | ACHIRAL |
| Molecular Formula | C17H23N3O.2C7H7BrN4O2.2C4H11NO.C4H4O4 |
| Molecular Weight | 1097.849 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 1 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
CC(C)(N)CO.CC(C)(N)CO.OC(=O)\C=C/C(O)=O.CN1C2=C(NC(Br)=N2)C(=O)N(C)C1=O.CN3C4=C(NC(Br)=N4)C(=O)N(C)C3=O.COC5=CC=C(CN(CCN(C)C)C6=CC=CC=N6)C=C5
InChI
InChIKey=WQDAZEVNOKYARY-TUXKUCLYSA-N
InChI=1S/C17H23N3O.2C7H7BrN4O2.2C4H11NO.C4H4O4/c1-19(2)12-13-20(17-6-4-5-11-18-17)14-15-7-9-16(21-3)10-8-15;2*1-11-4-3(9-6(8)10-4)5(13)12(2)7(11)14;2*1-4(2,5)3-6;5-3(6)1-2-4(7)8/h4-11H,12-14H2,1-3H3;2*1-2H3,(H,9,10);2*6H,3,5H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;;;;;2-1-
| Molecular Formula | C17H23N3O |
| Molecular Weight | 285.384 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
| Molecular Formula | C4H4O4 |
| Molecular Weight | 116.0722 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 1 |
| Optical Activity | NONE |
| Molecular Formula | C4H11NO |
| Molecular Weight | 89.1362 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
| Molecular Formula | C7H7BrN4O2 |
| Molecular Weight | 259.06 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Tue Oct 22 19:51:04 UTC 2019
by
admin
on
Tue Oct 22 19:51:04 UTC 2019
|
| Record UNII |
QFC5BM98OO
|
| Record Status |
Validated (UNII)
|
| Record Version |
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-
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| Code System | Code | Type | Description | ||
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7460-15-3
Created by
admin on Tue Oct 22 19:51:05 UTC 2019 , Edited by admin on Tue Oct 22 19:51:05 UTC 2019
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76959156
Created by
admin on Tue Oct 22 19:51:05 UTC 2019 , Edited by admin on Tue Oct 22 19:51:05 UTC 2019
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PRIMARY |
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