Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C13H20N3O3S.Cl |
| Molecular Weight | 333.834 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 2 / 3 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
[Cl-].C[N+]3(CC1=C(N2[C@H](SC1)[C@H](N)C2=O)C(O)=O)CCCC3
InChI
InChIKey=UVKYDOZUOXJZSR-WYUVZMMLSA-N
InChI=1S/C13H19N3O3S.ClH/c1-16(4-2-3-5-16)6-8-7-20-12-9(14)11(17)15(12)10(8)13(18)19;/h9,12H,2-7,14H2,1H3;1H/t9-,12-;/m1./s1
| Molecular Formula | C13H20N3O3S |
| Molecular Weight | 298.381 |
| Charge | 1 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 2 / 3 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
| Molecular Formula | Cl |
| Molecular Weight | 35.453 |
| Charge | -1 |
| 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
Mon Mar 31 23:28:40 GMT 2025
by
admin
on
Mon Mar 31 23:28:40 GMT 2025
|
| Record UNII |
UT5PWT1TTT
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| Record Status |
Validated (UNII)
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| Record Version |
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-
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103121-85-3
Created by
admin on Mon Mar 31 23:28:40 GMT 2025 , Edited by admin on Mon Mar 31 23:28:40 GMT 2025
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UT5PWT1TTT
Created by
admin on Mon Mar 31 23:28:40 GMT 2025 , Edited by admin on Mon Mar 31 23:28:40 GMT 2025
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DTXSID801032367
Created by
admin on Mon Mar 31 23:28:40 GMT 2025 , Edited by admin on Mon Mar 31 23:28:40 GMT 2025
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13591236
Created by
admin on Mon Mar 31 23:28:40 GMT 2025 , Edited by admin on Mon Mar 31 23:28:40 GMT 2025
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PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
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PARENT -> SALT/SOLVATE |
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![Structure of 1-[[(6R,7R)-7-Amino-2-carboxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]methyl]-1-methylpyrrolidinium](/img/253f5b22-fb87-410f-97f6-66d0b82bc90a.svg "Structure of 1-[[(6R,7R)-7-Amino-2-carboxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]methyl]-1-methylpyrrolidinium")