Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C22H21ClN2O8.C7H6O6S |
| Molecular Weight | 695.048 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 5 / 5 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
OC(=O)C1=CC(=CC=C1O)S(O)(=O)=O.[H][C@@]23[C@@H](O)[C@]4([H])C(=C)C5=C(Cl)C=CC(O)=C5C(=O)C4=C(O)[C@]2(O)C(=O)C(C(N)=O)=C(O)[C@H]3N(C)C
InChI
InChIKey=FYSVKUUNXYGFLA-CCHMMTNSSA-N
InChI=1S/C22H21ClN2O8.C7H6O6S/c1-6-9-7(23)4-5-8(26)11(9)16(27)12-10(6)17(28)14-15(25(2)3)18(29)13(21(24)32)20(31)22(14,33)19(12)30;8-6-2-1-4(14(11,12)13)3-5(6)7(9)10/h4-5,10,14-15,17,26,28-30,33H,1H2,2-3H3,(H2,24,32);1-3,8H,(H,9,10)(H,11,12,13)/t10-,14-,15+,17+,22+;/m1./s1
| Molecular Formula | C22H21ClN2O8 |
| Molecular Weight | 476.864 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 4 / 5 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
| Molecular Formula | C7H6O6S |
| Molecular Weight | 218.184 |
| Charge | 0 |
| 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
Fri Dec 15 15:15:30 UTC 2023
by
admin
on
Fri Dec 15 15:15:30 UTC 2023
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| Record UNII |
46VZA7RX2B
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| Record Status |
Validated (UNII)
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| Record Version |
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-
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| Classification Tree | Code System | Code | ||
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NCI_THESAURUS |
C1595
Created by
admin on Fri Dec 15 15:15:30 UTC 2023 , Edited by admin on Fri Dec 15 15:15:30 UTC 2023
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| Code System | Code | Type | Description | ||
|---|---|---|---|---|---|
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1377508
Created by
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DBSALT002414
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46VZA7RX2B
Created by
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73816-42-9
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CHEMBL261772
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admin on Fri Dec 15 15:15:30 UTC 2023 , Edited by admin on Fri Dec 15 15:15:30 UTC 2023
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C47596
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admin on Fri Dec 15 15:15:30 UTC 2023 , Edited by admin on Fri Dec 15 15:15:30 UTC 2023
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SUB03105MIG
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admin on Fri Dec 15 15:15:30 UTC 2023 , Edited by admin on Fri Dec 15 15:15:30 UTC 2023
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DTXSID5045596
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277-614-2
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admin on Fri Dec 15 15:15:30 UTC 2023 , Edited by admin on Fri Dec 15 15:15:30 UTC 2023
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100000086163
Created by
admin on Fri Dec 15 15:15:30 UTC 2023 , Edited by admin on Fri Dec 15 15:15:30 UTC 2023
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757831
Created by
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203162
Created by
admin on Fri Dec 15 15:15:30 UTC 2023 , Edited by admin on Fri Dec 15 15:15:30 UTC 2023
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PRIMARY | RxNorm | ||
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m7119
Created by
admin on Fri Dec 15 15:15:30 UTC 2023 , Edited by admin on Fri Dec 15 15:15:30 UTC 2023
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PRIMARY | Merck Index |
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PARENT -> SALT/SOLVATE | |||
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PARENT -> SALT/SOLVATE |
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ACTIVE MOIETY |