Details
Stereochemistry | ABSOLUTE |
Molecular Formula | C9H13NO3.ClH |
Molecular Weight | 219.665 |
Optical Activity | UNSPECIFIED |
Defined Stereocenters | 1 / 1 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
Cl.CNC[C@H](O)C1=CC(O)=C(O)C=C1
InChI
InChIKey=ATADHKWKHYVBTJ-FVGYRXGTSA-N
InChI=1S/C9H13NO3.ClH/c1-10-5-9(13)6-2-3-7(11)8(12)4-6;/h2-4,9-13H,5H2,1H3;1H/t9-;/m0./s1
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 | C9H13NO3 |
Molecular Weight | 183.2044 |
Charge | 0 |
Count |
|
Stereochemistry | ABSOLUTE |
Additional Stereochemistry | No |
Defined Stereocenters | 1 / 1 |
E/Z Centers | 0 |
Optical Activity | UNSPECIFIED |
Approval Year
Substance Class |
Chemical
Created
by
admin
on
Edited
Fri Dec 15 15:08:38 UTC 2023
by
admin
on
Fri Dec 15 15:08:38 UTC 2023
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Record UNII |
WBB047OO38
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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 |
C87053
Created by
admin on Fri Dec 15 15:08:38 UTC 2023 , Edited by admin on Fri Dec 15 15:08:38 UTC 2023
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CFR |
21 CFR 346.12
Created by
admin on Fri Dec 15 15:08:38 UTC 2023 , Edited by admin on Fri Dec 15 15:08:38 UTC 2023
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WBB047OO38
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C74941
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362
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100000091095
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55-31-2
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200-230-3
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DTXSID1020568
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441411
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m4944
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DBSALT001484
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WBB047OO38
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CHEMBL679
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SUB01912MIG
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6213
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Related Record | Type | Details | ||
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RACEMATE -> ENANTIOMER |
Related Record | Type | Details | ||
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ACTIVE MOIETY |