Details
Stereochemistry | MIXED |
Molecular Formula | C42H40Cl2N8O3S2 |
Molecular Weight | 839.855 |
Optical Activity | UNSPECIFIED |
Defined Stereocenters | 0 / 2 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
OC6(C1C(=O)NC2=C1C=C(CCN3CCN(CC3)C4=NSC5=C4C=CC=C5)C(Cl)=C2)C(=O)NC7=C6C=C(CCN8CCN(CC8)C9=NSC%10=C9C=CC=C%10)C(Cl)=C7
InChI
InChIKey=JXXKGHVYXULCTC-UHFFFAOYSA-N
InChI=1S/C42H40Cl2N8O3S2/c43-31-23-33-29(21-25(31)9-11-49-13-17-51(18-14-49)38-27-5-1-3-7-35(27)56-47-38)37(40(53)45-33)42(55)30-22-26(32(44)24-34(30)46-41(42)54)10-12-50-15-19-52(20-16-50)39-28-6-2-4-8-36(28)57-48-39/h1-8,21-24,37,55H,9-20H2,(H,45,53)(H,46,54)
Molecular Formula | C42H40Cl2N8O3S2 |
Molecular Weight | 839.855 |
Charge | 0 |
Count |
|
Stereochemistry | MIXED |
Additional Stereochemistry | No |
Defined Stereocenters | 0 / 2 |
E/Z Centers | 0 |
Optical Activity | UNSPECIFIED |
Approval Year
Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 10:56:44 UTC 2023
by
admin
on
Sat Dec 16 10:56:44 UTC 2023
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Record UNII |
81DVJ4GWP5
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Record Status |
Validated (UNII)
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Record Version |
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-
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1724441
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81DVJ4GWP5
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72942012
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1303996-68-0
Created by
admin on Sat Dec 16 10:56:44 UTC 2023 , Edited by admin on Sat Dec 16 10:56:44 UTC 2023
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Related Record | Type | Details | ||
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PARENT -> IMPURITY |
For the calculation of contents, multiply the peak areas by 1.4
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP
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