Details
Stereochemistry | RACEMIC |
Molecular Formula | C12H17NO3.BrH |
Molecular Weight | 304.18 |
Optical Activity | ( + / - ) |
Defined Stereocenters | 2 / 2 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
Br.[H][C@]1(CCCCN1)[C@H](O)C2=CC(O)=C(O)C=C2
InChI
InChIKey=QPYZEEKXUYXZBK-PKKHVXKMSA-N
InChI=1S/C12H17NO3.BrH/c14-10-5-4-8(7-11(10)15)12(16)9-3-1-2-6-13-9;/h4-5,7,9,12-16H,1-3,6H2;1H/t9-,12+;/m0./s1
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 |
Molecular Formula | C12H17NO3 |
Molecular Weight | 223.2683 |
Charge | 0 |
Count |
|
Stereochemistry | RACEMIC |
Additional Stereochemistry | No |
Defined Stereocenters | 2 / 2 |
E/Z Centers | 0 |
Optical Activity | UNSPECIFIED |
Approval Year
Substance Class |
Chemical
Created
by
admin
on
Edited
Fri Dec 15 15:14:42 UTC 2023
by
admin
on
Fri Dec 15 15:14:42 UTC 2023
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Record UNII |
I29DRR8S3R
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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 15:14:42 UTC 2023 , Edited by admin on Fri Dec 15 15:14:42 UTC 2023
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Code System | Code | Type | Description | ||
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250-834-6
Created by
admin on Fri Dec 15 15:14:42 UTC 2023 , Edited by admin on Fri Dec 15 15:14:42 UTC 2023
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I29DRR8S3R
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admin on Fri Dec 15 15:14:42 UTC 2023 , Edited by admin on Fri Dec 15 15:14:42 UTC 2023
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DTXSID70953756
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admin on Fri Dec 15 15:14:42 UTC 2023 , Edited by admin on Fri Dec 15 15:14:42 UTC 2023
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31842-61-2
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admin on Fri Dec 15 15:14:42 UTC 2023 , Edited by admin on Fri Dec 15 15:14:42 UTC 2023
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CHEMBL1097630
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admin on Fri Dec 15 15:14:42 UTC 2023 , Edited by admin on Fri Dec 15 15:14:42 UTC 2023
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70685132
Created by
admin on Fri Dec 15 15:14:42 UTC 2023 , Edited by admin on Fri Dec 15 15:14:42 UTC 2023
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289336
Created by
admin on Fri Dec 15 15:14:42 UTC 2023 , Edited by admin on Fri Dec 15 15:14:42 UTC 2023
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m9623
Created by
admin on Fri Dec 15 15:14:42 UTC 2023 , Edited by admin on Fri Dec 15 15:14:42 UTC 2023
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PRIMARY | Merck Index | ||
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SUB04251MIG
Created by
admin on Fri Dec 15 15:14:42 UTC 2023 , Edited by admin on Fri Dec 15 15:14:42 UTC 2023
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C81646
Created by
admin on Fri Dec 15 15:14:42 UTC 2023 , Edited by admin on Fri Dec 15 15:14:42 UTC 2023
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203161
Created by
admin on Fri Dec 15 15:14:42 UTC 2023 , Edited by admin on Fri Dec 15 15:14:42 UTC 2023
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PRIMARY | RxNorm | ||
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100000084921
Created by
admin on Fri Dec 15 15:14:42 UTC 2023 , Edited by admin on Fri Dec 15 15:14:42 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 |