Details
Stereochemistry | ACHIRAL |
Molecular Formula | C40H42N12O10S2.2Na |
Molecular Weight | 960.945 |
Optical Activity | NONE |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 1 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
[Na+].[Na+].OCCN(CCO)C1=NC(NC2=CC=CC=C2)=NC(NC3=CC(=C(\C=C\C4=C(C=C(NC5=NC(NC6=CC=CC=C6)=NC(=N5)N(CCO)CCO)C=C4)S([O-])(=O)=O)C=C3)S([O-])(=O)=O)=N1
InChI
InChIKey=YJHDFAAFYNRKQE-YHPRVSEPSA-L
InChI=1S/C40H44N12O10S2.2Na/c53-21-17-51(18-22-54)39-47-35(41-29-7-3-1-4-8-29)45-37(49-39)43-31-15-13-27(33(25-31)63(57,58)59)11-12-28-14-16-32(26-34(28)64(60,61)62)44-38-46-36(42-30-9-5-2-6-10-30)48-40(50-38)52(19-23-55)20-24-56;;/h1-16,25-26,53-56H,17-24H2,(H,57,58,59)(H,60,61,62)(H2,41,43,45,47,49)(H2,42,44,46,48,50);;/q;2*+1/p-2/b12-11+;;
Molecular Formula | C40H42N12O10S2 |
Molecular Weight | 914.966 |
Charge | -2 |
Count |
|
Stereochemistry | ACHIRAL |
Additional Stereochemistry | No |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 1 |
Optical Activity | NONE |
Molecular Formula | Na |
Molecular Weight | 22.9898 |
Charge | 1 |
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 11:55:58 UTC 2023
by
admin
on
Sat Dec 16 11:55:58 UTC 2023
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Record UNII |
11V30J47QK
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Record Status |
Validated (UNII)
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Record Version |
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-
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50011
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59453-69-9
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DTXSID9044669
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4193-55-9
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6434593
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224-073-5
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11V30J47QK
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23149-46-4
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admin on Sat Dec 16 11:55:58 UTC 2023 , Edited by admin on Sat Dec 16 11:55:58 UTC 2023
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NON-SPECIFIC STOICHIOMETRY |
Related Record | Type | Details | ||
---|---|---|---|---|
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PARENT -> SALT/SOLVATE |
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