Details
Stereochemistry | ACHIRAL |
Molecular Formula | C39H41N3O6S2.Na |
Molecular Weight | 734.879 |
Optical Activity | NONE |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 0 |
Charge | 1 |
SHOW SMILES / InChI
SMILES
[Na+].CCN(CC1=CC(=CC=C1)S(O)(=O)=O)C2=CC=C(C=C2)C(C3=CC=C(C=C3)N(C)C)=C4C=CC(C=C4)=[N+](CC)CC5=CC(=CC=C5)S([O-])(=O)=O
InChI
InChIKey=AXMCIYLNKNGNOT-UHFFFAOYSA-N
InChI=1S/C39H41N3O6S2.Na/c1-5-41(27-29-9-7-11-37(25-29)49(43,44)45)35-21-15-32(16-22-35)39(31-13-19-34(20-14-31)40(3)4)33-17-23-36(24-18-33)42(6-2)28-30-10-8-12-38(26-30)50(46,47)48;/h7-26H,5-6,27-28H2,1-4H3,(H-,43,44,45,46,47,48);/q;+1
Approval Year
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Classification Tree | Code System | Code | ||
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NCI_THESAURUS |
C461
Created by
admin on Fri Dec 15 17:09:13 UTC 2023 , Edited by admin on Fri Dec 15 17:09:13 UTC 2023
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C95166
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admin on Fri Dec 15 17:09:13 UTC 2023 , Edited by admin on Fri Dec 15 17:09:13 UTC 2023
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216-901-9
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admin on Fri Dec 15 17:09:13 UTC 2023 , Edited by admin on Fri Dec 15 17:09:13 UTC 2023
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23691992
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admin on Fri Dec 15 17:09:13 UTC 2023 , Edited by admin on Fri Dec 15 17:09:13 UTC 2023
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550X5X78WK
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admin on Fri Dec 15 17:09:13 UTC 2023 , Edited by admin on Fri Dec 15 17:09:13 UTC 2023
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1694-09-3
Created by
admin on Fri Dec 15 17:09:13 UTC 2023 , Edited by admin on Fri Dec 15 17:09:13 UTC 2023
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PRIMARY |
SUBSTANCE RECORD