Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C14H20N4O4S.BrH |
| Molecular Weight | 421.31 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 3 / 3 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
Br.NC1=N[C@H]2[C@H](CS[C@H]2CCCCC(=O)ON3C(=O)CCC3=O)N1
InChI
InChIKey=AOQVRPXBTSXMRA-UYNHQEOZSA-N
InChI=1S/C14H20N4O4S.BrH/c15-14-16-8-7-23-9(13(8)17-14)3-1-2-4-12(21)22-18-10(19)5-6-11(18)20;/h8-9,13H,1-7H2,(H3,15,16,17);1H/t8-,9-,13-;/m0./s1
| Molecular Formula | C14H20N4O4S |
| Molecular Weight | 340.398 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 3 / 3 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
| Molecular Formula | BrH |
| Molecular Weight | 80.912 |
| 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
Tue Apr 01 17:16:00 GMT 2025
by
admin
on
Tue Apr 01 17:16:00 GMT 2025
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| Record UNII |
XR6GQWJOMP
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| Record Status |
Validated (UNII)
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| Record Version |
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-
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45052545
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76939-67-8
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XR6GQWJOMP
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371978
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admin on Tue Apr 01 17:16:00 GMT 2025 , Edited by admin on Tue Apr 01 17:16:00 GMT 2025
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DTXSID90998220
Created by
admin on Tue Apr 01 17:16:00 GMT 2025 , Edited by admin on Tue Apr 01 17:16:00 GMT 2025
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| Related Record | Type | Details | ||
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PARENT -> SALT/SOLVATE |