Details
Stereochemistry | ABSOLUTE |
Molecular Formula | 2C9H13N.H2O4S |
Molecular Weight | 368.491 |
Optical Activity | UNSPECIFIED |
Defined Stereocenters | 2 / 2 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
OS(O)(=O)=O.C[C@H](N)CC1=CC=CC=C1.C[C@H](N)CC2=CC=CC=C2
InChI
InChIKey=PYHRZPFZZDCOPH-QXGOIDDHSA-N
InChI=1S/2C9H13N.H2O4S/c2*1-8(10)7-9-5-3-2-4-6-9;1-5(2,3)4/h2*2-6,8H,7,10H2,1H3;(H2,1,2,3,4)/t2*8-;/m00./s1
Molecular Formula | C9H13N |
Molecular Weight | 135.2062 |
Charge | 0 |
Count |
|
Stereochemistry | ABSOLUTE |
Additional Stereochemistry | No |
Defined Stereocenters | 1 / 1 |
E/Z Centers | 0 |
Optical Activity | UNSPECIFIED |
Molecular Formula | H2O4S |
Molecular Weight | 98.078 |
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 15:10:58 UTC 2023
by
admin
on
Fri Dec 15 15:10:58 UTC 2023
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Record UNII |
JJ768O327N
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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 |
C47795
Created by
admin on Fri Dec 15 15:10:58 UTC 2023 , Edited by admin on Fri Dec 15 15:10:58 UTC 2023
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DEA NO. |
1100
Created by
admin on Fri Dec 15 15:10:58 UTC 2023 , Edited by admin on Fri Dec 15 15:10:58 UTC 2023
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EPA PESTICIDE CODE |
600091
Created by
admin on Fri Dec 15 15:10:58 UTC 2023 , Edited by admin on Fri Dec 15 15:10:58 UTC 2023
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Code System | Code | Type | Description | ||
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DTXSID2057865
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51064
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admin on Fri Dec 15 15:10:58 UTC 2023 , Edited by admin on Fri Dec 15 15:10:58 UTC 2023
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SUB01624MIG
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DBSALT000046
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JJ768O327N
Created by
admin on Fri Dec 15 15:10:58 UTC 2023 , Edited by admin on Fri Dec 15 15:10:58 UTC 2023
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1180004
Created by
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5825
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3287
Created by
admin on Fri Dec 15 15:10:58 UTC 2023 , Edited by admin on Fri Dec 15 15:10:58 UTC 2023
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PRIMARY | RxNorm | ||
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C47482
Created by
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200-111-6
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27104
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CHEMBL612
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admin on Fri Dec 15 15:10:58 UTC 2023 , Edited by admin on Fri Dec 15 15:10:58 UTC 2023
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51-63-8
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admin on Fri Dec 15 15:10:58 UTC 2023 , Edited by admin on Fri Dec 15 15:10:58 UTC 2023
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20751-44-4
Created by
admin on Fri Dec 15 15:10:58 UTC 2023 , Edited by admin on Fri Dec 15 15:10:58 UTC 2023
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NON-SPECIFIC STOICHIOMETRY | |||
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m4226
Created by
admin on Fri Dec 15 15:10:58 UTC 2023 , Edited by admin on Fri Dec 15 15:10:58 UTC 2023
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PRIMARY | Merck Index | ||
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100000092383
Created by
admin on Fri Dec 15 15:10:58 UTC 2023 , Edited by admin on Fri Dec 15 15:10:58 UTC 2023
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JJ768O327N
Created by
admin on Fri Dec 15 15:10:58 UTC 2023 , Edited by admin on Fri Dec 15 15:10:58 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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IMPURITY -> PARENT |
CHROMATOGRAPHIC PURITY (HPLC/UV)
USP
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IMPURITY -> PARENT |
CHROMATOGRAPHIC PURITY (HPLC/UV)
USP
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IMPURITY -> PARENT |
CHROMATOGRAPHIC PURITY (HPLC/UV)
USP
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IMPURITY -> PARENT |
CHROMATOGRAPHIC PURITY (HPLC/UV)
USP
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Related Record | Type | Details | ||
---|---|---|---|---|
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ACTIVE MOIETY |