Details
Stereochemistry | ABSOLUTE |
Molecular Formula | C23H28N2O5S2.ClH |
Molecular Weight | 513.07 |
Optical Activity | UNSPECIFIED |
Defined Stereocenters | 3 / 3 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
Cl.CCOC(=O)[C@H](CCC1=CC=CC=C1)N[C@H]2CS[C@@H](CN(CC(O)=O)C2=O)C3=CC=CS3
InChI
InChIKey=XDDQNOKKZKHBIX-ASBZXGSUSA-N
InChI=1S/C23H28N2O5S2.ClH/c1-2-30-23(29)17(11-10-16-7-4-3-5-8-16)24-18-15-32-20(19-9-6-12-31-19)13-25(22(18)28)14-21(26)27;/h3-9,12,17-18,20,24H,2,10-11,13-15H2,1H3,(H,26,27);1H/t17-,18-,20-;/m0./s1
Molecular Formula | C23H28N2O5S2 |
Molecular Weight | 476.609 |
Charge | 0 |
Count |
|
Stereochemistry | ABSOLUTE |
Additional Stereochemistry | No |
Defined Stereocenters | 3 / 3 |
E/Z Centers | 0 |
Optical Activity | UNSPECIFIED |
Molecular Formula | ClH |
Molecular Weight | 36.461 |
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 15:38:27 UTC 2023
by
admin
on
Fri Dec 15 15:38:27 UTC 2023
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Record UNII |
8G820I95VP
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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 |
C247
Created by
admin on Fri Dec 15 15:38:27 UTC 2023 , Edited by admin on Fri Dec 15 15:38:27 UTC 2023
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Code System | Code | Type | Description | ||
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110221-44-8
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443873
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CHEMBL2110627
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DTXSID7046914
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SUB04716MIG
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FF-33
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C99556
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C055603
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DBSALT000171
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m10549
Created by
admin on Fri Dec 15 15:38:27 UTC 2023 , Edited by admin on Fri Dec 15 15:38:27 UTC 2023
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PRIMARY | Merck Index | ||
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8G820I95VP
Created by
admin on Fri Dec 15 15:38:27 UTC 2023 , Edited by admin on Fri Dec 15 15:38:27 UTC 2023
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100000084791
Created by
admin on Fri Dec 15 15:38:27 UTC 2023 , Edited by admin on Fri Dec 15 15:38:27 UTC 2023
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PRIMARY |
Related Record | Type | Details | ||
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PARENT -> SALT/SOLVATE |
Related Record | Type | Details | ||
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ACTIVE MOIETY |