Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C21H22N2O5S.C16H20N2 |
| Molecular Weight | 654.818 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 3 / 3 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
C(CNCC1=CC=CC=C1)NCC2=CC=CC=C2.[H][C@]34SC(C)(C)[C@@H](N3C(=O)[C@H]4NC(=O)C5=C(OCC)C=CC6=CC=CC=C56)C(O)=O
InChI
InChIKey=HYJHTTQKOSMGMX-FRFVDRIFSA-N
InChI=1S/C21H22N2O5S.C16H20N2/c1-4-28-13-10-9-11-7-5-6-8-12(11)14(13)17(24)22-15-18(25)23-16(20(26)27)21(2,3)29-19(15)23;1-3-7-15(8-4-1)13-17-11-12-18-14-16-9-5-2-6-10-16/h5-10,15-16,19H,4H2,1-3H3,(H,22,24)(H,26,27);1-10,17-18H,11-14H2/t15-,16+,19-;/m1./s1
| Molecular Formula | C16H20N2 |
| Molecular Weight | 240.3434 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
| Molecular Formula | C21H22N2O5S |
| Molecular Weight | 414.475 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 3 / 3 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Fri Dec 15 18:25:35 UTC 2023
by
admin
on
Fri Dec 15 18:25:35 UTC 2023
|
| Record UNII |
OOG512995N
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
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23288-39-3
Created by
admin on Fri Dec 15 18:25:35 UTC 2023 , Edited by admin on Fri Dec 15 18:25:35 UTC 2023
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PRIMARY | |||
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OOG512995N
Created by
admin on Fri Dec 15 18:25:35 UTC 2023 , Edited by admin on Fri Dec 15 18:25:35 UTC 2023
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PRIMARY | |||
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71300361
Created by
admin on Fri Dec 15 18:25:35 UTC 2023 , Edited by admin on Fri Dec 15 18:25:35 UTC 2023
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PRIMARY |
| Related Record | Type | Details | ||
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ACTIVE MOIETY |
