Details
Stereochemistry | EPIMERIC |
Molecular Formula | C21H27N3O7S.ClH |
Molecular Weight | 501.981 |
Optical Activity | UNSPECIFIED |
Defined Stereocenters | 4 / 5 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
Cl.[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)[C@H](N)C3=CC=CC=C3)C(=O)OC(C)OC(=O)OCC
InChI
InChIKey=IWVTXAGTHUECPN-ANBBSHPLSA-N
InChI=1S/C21H27N3O7S.ClH/c1-5-29-20(28)31-11(2)30-19(27)15-21(3,4)32-18-14(17(26)24(15)18)23-16(25)13(22)12-9-7-6-8-10-12;/h6-11,13-15,18H,5,22H2,1-4H3,(H,23,25);1H/t11?,13-,14-,15+,18-;/m1./s1
Molecular Formula | C21H27N3O7S |
Molecular Weight | 465.52 |
Charge | 0 |
Count |
|
Stereochemistry | EPIMERIC |
Additional Stereochemistry | No |
Defined Stereocenters | 4 / 5 |
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 15:49:50 UTC 2023
by
admin
on
Fri Dec 15 15:49:50 UTC 2023
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Record UNII |
PM034U953T
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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 |
C1500
Created by
admin on Fri Dec 15 15:49:50 UTC 2023 , Edited by admin on Fri Dec 15 15:49:50 UTC 2023
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441398
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SUB00649MIG
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C011674
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PM034U953T
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DTXSID0045466
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DBSALT000831
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37661-08-8
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CHEMBL1583
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2969
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253-580-4
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100000092774
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327584
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SUB32681
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758228
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C65246
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m2194
Created by
admin on Fri Dec 15 15:49:50 UTC 2023 , Edited by admin on Fri Dec 15 15:49:50 UTC 2023
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PRIMARY | Merck Index |
Related Record | Type | Details | ||
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PARENT -> SALT/SOLVATE |
Related Record | Type | Details | ||
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ACTIVE MOIETY |