Details
| Stereochemistry | RACEMIC |
| Molecular Formula | C45H50N2O12S3.2Na |
| Molecular Weight | 953.059 |
| Optical Activity | ( + / - ) |
| Defined Stereocenters | 0 / 1 |
| E/Z Centers | 3 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
[Na+].[Na+].CC1(C)C(=CC=C2CCCC(C=CC3=[N+](CCCS([O-])(=O)=O)C4=CC=CC=C4C3(C)CCCC(O)=O)=C2OC5=CC=C(C=C5)S([O-])(=O)=O)N(CCCS([O-])(=O)=O)C6=CC=CC=C16
InChI
InChIKey=XWSWYINLTXJNDT-UHFFFAOYSA-L
InChI=1S/C45H52N2O12S3.2Na/c1-44(2)36-14-4-6-16-38(36)46(28-10-30-60(50,51)52)40(44)25-19-32-12-8-13-33(43(32)59-34-21-23-35(24-22-34)62(56,57)58)20-26-41-45(3,27-9-18-42(48)49)37-15-5-7-17-39(37)47(41)29-11-31-61(53,54)55;;/h4-7,14-17,19-26H,8-13,18,27-31H2,1-3H3,(H3-,48,49,50,51,52,53,54,55,56,57,58);;/q;2*+1/p-2
| Molecular Formula | C45H50N2O12S3 |
| Molecular Weight | 907.08 |
| Charge | -2 |
| Count |
|
| Stereochemistry | RACEMIC |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 1 |
| E/Z Centers | 3 |
| Optical Activity | ( + / - ) |
| Molecular Formula | Na |
| Molecular Weight | 22.98976928 |
| 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
Mon Mar 31 22:17:08 GMT 2025
by
admin
on
Mon Mar 31 22:17:08 GMT 2025
|
| Record UNII |
765W9ZS1DS
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| Record Status |
Validated (UNII)
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| Record Version |
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-
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Created by
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765W9ZS1DS
Created by
admin on Mon Mar 31 22:17:08 GMT 2025 , Edited by admin on Mon Mar 31 22:17:08 GMT 2025
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163297129
Created by
admin on Mon Mar 31 22:17:08 GMT 2025 , Edited by admin on Mon Mar 31 22:17:08 GMT 2025
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