Details
Stereochemistry | ACHIRAL |
Molecular Formula | C38H38N12O8S2.2Na |
Molecular Weight | 900.893 |
Optical Activity | NONE |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 1 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
[Na+].[Na+].CN(CCO)C1=NC(NC2=CC(=C(\C=C\C3=C(C=C(NC4=NC(NC5=CC=CC=C5)=NC(=N4)N(C)CCO)C=C3)S([O-])(=O)=O)C=C2)S([O-])(=O)=O)=NC(NC6=CC=CC=C6)=N1
InChI
InChIKey=VVYVUOFMPAXVCH-QDBORUFSSA-L
InChI=1S/C38H40N12O8S2.2Na/c1-49(19-21-51)37-45-33(39-27-9-5-3-6-10-27)43-35(47-37)41-29-17-15-25(31(23-29)59(53,54)55)13-14-26-16-18-30(24-32(26)60(56,57)58)42-36-44-34(40-28-11-7-4-8-12-28)46-38(48-36)50(2)20-22-52;;/h3-18,23-24,51-52H,19-22H2,1-2H3,(H,53,54,55)(H,56,57,58)(H2,39,41,43,45,47)(H2,40,42,44,46,48);;/q;2*+1/p-2/b14-13+;;
Molecular Formula | C38H38N12O8S2 |
Molecular Weight | 854.914 |
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
Fri Dec 15 18:16:50 GMT 2023
by
admin
on
Fri Dec 15 18:16:50 GMT 2023
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Record UNII |
31F73WR7CZ
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Record Status |
Validated (UNII)
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Record Version |
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CFR |
21 CFR 178.3297
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