Details
Stereochemistry | RACEMIC |
Molecular Formula | C13H21NO3.ClH |
Molecular Weight | 275.772 |
Optical Activity | ( + / - ) |
Defined Stereocenters | 2 / 2 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
Cl.CC[C@@H](NC(C)C)[C@@H](O)C1=CC(O)=C(O)C=C1
InChI
InChIKey=MUFDLGGSOCHQOC-HTKOBJQYSA-N
InChI=1S/C13H21NO3.ClH/c1-4-10(14-8(2)3)13(17)9-5-6-11(15)12(16)7-9;/h5-8,10,13-17H,4H2,1-3H3;1H/t10-,13+;/m1./s1
Molecular Formula | C13H21NO3 |
Molecular Weight | 239.3107 |
Charge | 0 |
Count |
|
Stereochemistry | ABSOLUTE |
Additional Stereochemistry | No |
Defined Stereocenters | 2 / 2 |
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 16:33:35 UTC 2023
by
admin
on
Fri Dec 15 16:33:35 UTC 2023
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Record UNII |
51V8U784H3
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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 16:33:35 UTC 2023 , Edited by admin on Fri Dec 15 16:33:35 UTC 2023
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NCI_THESAURUS |
C319
Created by
admin on Fri Dec 15 16:33:35 UTC 2023 , Edited by admin on Fri Dec 15 16:33:35 UTC 2023
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Code System | Code | Type | Description | ||
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m6485
Created by
admin on Fri Dec 15 16:33:35 UTC 2023 , Edited by admin on Fri Dec 15 16:33:35 UTC 2023
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PRIMARY | Merck Index | ||
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CHEMBL1201213
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PRIMARY | |||
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DBSALT000349
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PRIMARY | |||
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102397
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admin on Fri Dec 15 16:33:35 UTC 2023 , Edited by admin on Fri Dec 15 16:33:35 UTC 2023
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PRIMARY | RxNorm | ||
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DTXSID00101890
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PRIMARY | |||
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100000086456
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admin on Fri Dec 15 16:33:35 UTC 2023 , Edited by admin on Fri Dec 15 16:33:35 UTC 2023
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71465
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admin on Fri Dec 15 16:33:35 UTC 2023 , Edited by admin on Fri Dec 15 16:33:35 UTC 2023
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SUB02787MIG
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admin on Fri Dec 15 16:33:35 UTC 2023 , Edited by admin on Fri Dec 15 16:33:35 UTC 2023
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50-96-4
Created by
admin on Fri Dec 15 16:33:35 UTC 2023 , Edited by admin on Fri Dec 15 16:33:35 UTC 2023
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NON-SPECIFIC STEREOCHEMISTRY | |||
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C65975
Created by
admin on Fri Dec 15 16:33:35 UTC 2023 , Edited by admin on Fri Dec 15 16:33:35 UTC 2023
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2576-92-3
Created by
admin on Fri Dec 15 16:33:35 UTC 2023 , Edited by admin on Fri Dec 15 16:33:35 UTC 2023
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51V8U784H3
Created by
admin on Fri Dec 15 16:33:35 UTC 2023 , Edited by admin on Fri Dec 15 16:33:35 UTC 2023
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PRIMARY |
Related Record | Type | Details | ||
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PARENT -> SALT/SOLVATE |
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Related Record | Type | Details | ||
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ACTIVE MOIETY |