Details
Stereochemistry | RACEMIC |
Molecular Formula | C12H20N2O3.2ClH |
Molecular Weight | 313.221 |
Optical Activity | ( + / - ) |
Defined Stereocenters | 0 / 1 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
Cl.Cl.CC(C)(C)NCC(O)C1=NC(CO)=C(O)C=C1
InChI
InChIKey=XIDFCZTVVCWBGN-UHFFFAOYSA-N
InChI=1S/C12H20N2O3.2ClH/c1-12(2,3)13-6-11(17)8-4-5-10(16)9(7-15)14-8;;/h4-5,11,13,15-17H,6-7H2,1-3H3;2*1H
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 |
Molecular Formula | C12H20N2O3 |
Molecular Weight | 240.2988 |
Charge | 0 |
Count |
|
Stereochemistry | RACEMIC |
Additional Stereochemistry | No |
Defined Stereocenters | 0 / 1 |
E/Z Centers | 0 |
Optical Activity | ( + / - ) |
Approval Year
Substance Class |
Chemical
Created
by
admin
on
Edited
Fri Dec 15 15:35:05 UTC 2023
by
admin
on
Fri Dec 15 15:35:05 UTC 2023
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Record UNII |
J6793T658K
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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 |
C48149
Created by
admin on Fri Dec 15 15:35:06 UTC 2023 , Edited by admin on Fri Dec 15 15:35:06 UTC 2023
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Code System | Code | Type | Description | ||
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253-751-3
Created by
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100000085311
Created by
admin on Fri Dec 15 15:35:06 UTC 2023 , Edited by admin on Fri Dec 15 15:35:06 UTC 2023
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68658
Created by
admin on Fri Dec 15 15:35:06 UTC 2023 , Edited by admin on Fri Dec 15 15:35:06 UTC 2023
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DBSALT000798
Created by
admin on Fri Dec 15 15:35:06 UTC 2023 , Edited by admin on Fri Dec 15 15:35:06 UTC 2023
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DTXSID5045120
Created by
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J6793T658K
Created by
admin on Fri Dec 15 15:35:06 UTC 2023 , Edited by admin on Fri Dec 15 15:35:06 UTC 2023
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355078
Created by
admin on Fri Dec 15 15:35:06 UTC 2023 , Edited by admin on Fri Dec 15 15:35:06 UTC 2023
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235447
Created by
admin on Fri Dec 15 15:35:06 UTC 2023 , Edited by admin on Fri Dec 15 15:35:06 UTC 2023
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PRIMARY | RxNorm | ||
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m8872
Created by
admin on Fri Dec 15 15:35:06 UTC 2023 , Edited by admin on Fri Dec 15 15:35:06 UTC 2023
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PRIMARY | Merck Index | ||
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C76545
Created by
admin on Fri Dec 15 15:35:06 UTC 2023 , Edited by admin on Fri Dec 15 15:35:06 UTC 2023
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38029-10-6
Created by
admin on Fri Dec 15 15:35:06 UTC 2023 , Edited by admin on Fri Dec 15 15:35:06 UTC 2023
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SUB03868MIG
Created by
admin on Fri Dec 15 15:35:06 UTC 2023 , Edited by admin on Fri Dec 15 15:35:06 UTC 2023
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100415-23-4
Created by
admin on Fri Dec 15 15:35:06 UTC 2023 , Edited by admin on Fri Dec 15 15:35:06 UTC 2023
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SUPERSEDED | |||
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CHEMBL1094966
Created by
admin on Fri Dec 15 15:35:06 UTC 2023 , Edited by admin on Fri Dec 15 15:35:06 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 |