Details
| Stereochemistry | RACEMIC |
| Molecular Formula | C44H47N2O9S2.Na |
| Molecular Weight | 834.972 |
| Optical Activity | ( + / - ) |
| Defined Stereocenters | 0 / 1 |
| E/Z Centers | 3 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
[Na+].CC[N+]1=C2C=C3OC(=CC(\C=C\C=C\C=C4/N(CCCS([O-])(=O)=O)C5=CC=C(C=C5C4(C)CCCC(O)=O)S([O-])(=O)=O)=C3C=C2C(C)=CC1(C)C)C6=CC=CC=C6
InChI
InChIKey=NBRJKWNYFLEEOQ-UHFFFAOYSA-M
InChI=1S/C44H48N2O9S2.Na/c1-6-46-38-28-40-35(27-34(38)30(2)29-43(46,3)4)32(25-39(55-40)31-15-9-7-10-16-31)17-11-8-12-18-41-44(5,22-13-19-42(47)48)36-26-33(57(52,53)54)20-21-37(36)45(41)23-14-24-56(49,50)51;/h7-12,15-18,20-21,25-29H,6,13-14,19,22-24H2,1-5H3,(H2-,47,48,49,50,51,52,53,54);/q;+1/p-1
| 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 |
| Molecular Formula | C44H47N2O9S2 |
| Molecular Weight | 811.982 |
| Charge | -1 |
| Count |
|
| Stereochemistry | RACEMIC |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 1 |
| E/Z Centers | 3 |
| Optical Activity | ( + / - ) |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 18:40:40 GMT 2023
by
admin
on
Sat Dec 16 18:40:40 GMT 2023
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| Record UNII |
QGS659BH2C
|
| Record Status |
Validated (UNII)
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| Record Version |
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-
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704891-84-9
Created by
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QGS659BH2C
Created by
admin on Sat Dec 16 18:40:40 GMT 2023 , Edited by admin on Sat Dec 16 18:40:40 GMT 2023
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76460621
Created by
admin on Sat Dec 16 18:40:40 GMT 2023 , Edited by admin on Sat Dec 16 18:40:40 GMT 2023
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| Related Record | Type | Details | ||
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PARENT -> SALT/SOLVATE |
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![Structure of 8H-Pyrano[3,2-g]quinolinium, 4-[5-[3-(3-carboxypropyl)-1,3-dihydro-3-methyl-5-sulfo-1-(3-sulfopropyl)-2H-indol-2-ylidene]-1,3-pentadien-1-yl]-9-ethyl-6,8,8-trimethyl-2-phenyl-, inner salt](/img/a5218dbb-f54f-4475-8e82-382a17e6ba5d.svg "Structure of 8H-Pyrano[3,2-g]quinolinium, 4-[5-[3-(3-carboxypropyl)-1,3-dihydro-3-methyl-5-sulfo-1-(3-sulfopropyl)-2H-indol-2-ylidene]-1,3-pentadien-1-yl]-9-ethyl-6,8,8-trimethyl-2-phenyl-, inner salt")