Details
| Stereochemistry | RACEMIC |
| Molecular Formula | C9H13NO3.ClH |
| Molecular Weight | 219.665 |
| Optical Activity | ( + / - ) |
| Defined Stereocenters | 0 / 1 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
Cl.CNCC(O)C1=CC(O)=C(O)C=C1
InChI
InChIKey=ATADHKWKHYVBTJ-UHFFFAOYSA-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
| 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 | 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 16:27:53 UTC 2023
by
admin
on
Fri Dec 15 16:27:53 UTC 2023
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| Record UNII |
336096P2WE
|
| Record Status |
Validated (UNII)
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| Record Version |
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-
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NCI_THESAURUS |
C319
Created by
admin on Fri Dec 15 16:27:53 UTC 2023 , Edited by admin on Fri Dec 15 16:27:53 UTC 2023
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CFR |
21 CFR 341.16
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admin on Fri Dec 15 16:27:53 UTC 2023 , Edited by admin on Fri Dec 15 16:27:53 UTC 2023
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m4944
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| Related Record | Type | Details | ||
|---|---|---|---|---|
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ENANTIOMER -> RACEMATE | |||
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PARENT -> SALT/SOLVATE | |||
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ENANTIOMER -> RACEMATE |
| Related Record | Type | Details | ||
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ACTIVE MOIETY |