Details
| Stereochemistry | ACHIRAL |
| Molecular Formula | 2C21H22NO4.O4S.5H2O |
| Molecular Weight | 890.946 |
| Optical Activity | NONE |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
O.O.O.O.O.[O-]S([O-])(=O)=O.COC1=CC2=C(C=C1OC)C3=CC4=C(C=[N+]3CC2)C(OC)=C(OC)C=C4.COC5=CC6=C(C=C5OC)C7=CC8=C(C=[N+]7CC6)C(OC)=C(OC)C=C8
InChI
InChIKey=QNKFXMOCNLNQFQ-UHFFFAOYSA-L
InChI=1S/2C21H22NO4.H2O4S.5H2O/c2*1-23-18-6-5-13-9-17-15-11-20(25-3)19(24-2)10-14(15)7-8-22(17)12-16(13)21(18)26-4;1-5(2,3)4;;;;;/h2*5-6,9-12H,7-8H2,1-4H3;(H2,1,2,3,4);5*1H2/q2*+1;;;;;;/p-2
| Molecular Formula | O4S |
| Molecular Weight | 96.063 |
| Charge | -2 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
| Molecular Formula | H2O |
| Molecular Weight | 18.0153 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
| Molecular Formula | C21H22NO4 |
| Molecular Weight | 352.4037 |
| 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
Sat Dec 16 11:16:30 UTC 2023
by
admin
on
Sat Dec 16 11:16:30 UTC 2023
|
| Record UNII |
8K99M0D5O2
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
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91864429
Created by
admin on Sat Dec 16 11:16:30 UTC 2023 , Edited by admin on Sat Dec 16 11:16:30 UTC 2023
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PRIMARY | |||
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8K99M0D5O2
Created by
admin on Sat Dec 16 11:16:30 UTC 2023 , Edited by admin on Sat Dec 16 11:16:30 UTC 2023
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m8365
Created by
admin on Sat Dec 16 11:16:30 UTC 2023 , Edited by admin on Sat Dec 16 11:16:30 UTC 2023
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PRIMARY | Merck Index | ||
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6211-20-7
Created by
admin on Sat Dec 16 11:16:30 UTC 2023 , Edited by admin on Sat Dec 16 11:16:30 UTC 2023
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PRIMARY |
| Related Record | Type | Details | ||
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