Details
Stereochemistry | ABSOLUTE |
Molecular Formula | C30H31F6N7O2.2ClH |
Molecular Weight | 708.525 |
Optical Activity | UNSPECIFIED |
Defined Stereocenters | 1 / 1 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
Cl.Cl.FC(F)(F)C1=CC(=CC(=C1)C(=O)N2CCN(CC3=NNN=C3CN4CCOCC4)C[C@H]2CC5=CNC6=CC=CC=C56)C(F)(F)F
InChI
InChIKey=QBQHUKKLUVZUBC-MQWQBNKOSA-N
InChI=1S/C30H31F6N7O2.2ClH/c31-29(32,33)21-11-19(12-22(14-21)30(34,35)36)28(44)43-6-5-42(16-23(43)13-20-15-37-25-4-2-1-3-24(20)25)18-27-26(38-40-39-27)17-41-7-9-45-10-8-41;;/h1-4,11-12,14-15,23,37H,5-10,13,16-18H2,(H,38,39,40);2*1H/t23-;;/m1../s1
Molecular Formula | C30H31F6N7O2 |
Molecular Weight | 635.6033 |
Charge | 0 |
Count |
|
Stereochemistry | ABSOLUTE |
Additional Stereochemistry | No |
Defined Stereocenters | 1 / 1 |
E/Z Centers | 0 |
Optical Activity | UNSPECIFIED |
Molecular Formula | ClH |
Molecular Weight | 36.461 |
Charge | 0 |
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 11:03:30 UTC 2023
by
admin
on
Sat Dec 16 11:03:30 UTC 2023
|
Record UNII |
H5KHP6OQ62
|
Record Status |
Validated (UNII)
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Record Version |
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-
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H5KHP6OQ62
Created by
admin on Sat Dec 16 11:03:30 UTC 2023 , Edited by admin on Sat Dec 16 11:03:30 UTC 2023
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393183-40-9
Created by
admin on Sat Dec 16 11:03:30 UTC 2023 , Edited by admin on Sat Dec 16 11:03:30 UTC 2023
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16109663
Created by
admin on Sat Dec 16 11:03:30 UTC 2023 , Edited by admin on Sat Dec 16 11:03:30 UTC 2023
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PRIMARY |
Related Record | Type | Details | ||
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PARENT -> SALT/SOLVATE |
Related Record | Type | Details | ||
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ACTIVE MOIETY |