Details
Stereochemistry | ACHIRAL |
Molecular Formula | C37H34ClN2O6S2.Na |
Molecular Weight | 725.248 |
Optical Activity | NONE |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
[Na+].CCN(CC1=CC(=CC=C1)S([O-])(=O)=O)C2=CC=C(C=C2)C(=C3C=CC(C=C3)=[N+](CC)CC4=CC=CC(=C4)S([O-])(=O)=O)C5=C(Cl)C=CC=C5
InChI
InChIKey=SHBDDIJUSNNBLQ-UHFFFAOYSA-M
InChI=1S/C37H35ClN2O6S2.Na/c1-3-39(25-27-9-7-11-33(23-27)47(41,42)43)31-19-15-29(16-20-31)37(35-13-5-6-14-36(35)38)30-17-21-32(22-18-30)40(4-2)26-28-10-8-12-34(24-28)48(44,45)46;/h5-24H,3-4,25-26H2,1-2H3,(H-,41,42,43,44,45,46);/q;+1/p-1
Approval Year
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DTXSID50881402
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51540
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4857-81-2
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8683
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225-458-0
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350YUK2Q7J
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admin on Sat Dec 16 08:19:22 GMT 2023 , Edited by admin on Sat Dec 16 08:19:22 GMT 2023
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25021982
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4319
Created by
admin on Sat Dec 16 08:19:22 GMT 2023 , Edited by admin on Sat Dec 16 08:19:22 GMT 2023
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PARENT (SALT/SOLVATE)
SUBSTANCE RECORD