Details
Stereochemistry | ACHIRAL |
Molecular Formula | C6H5NO2 |
Molecular Weight | 123.1094 |
Optical Activity | NONE |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
OC(=O)C1=CN=CC=C1
InChI
InChIKey=PVNIIMVLHYAWGP-UHFFFAOYSA-N
InChI=1S/C6H5NO2/c8-6(9)5-2-1-3-7-4-5/h1-4H,(H,8,9)
Molecular Formula | C6H5NO2 |
Molecular Weight | 123.1094 |
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 16:35:47 UTC 2023
by
admin
on
Fri Dec 15 16:35:47 UTC 2023
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Record UNII |
2679MF687A
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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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WHO-VATC |
QC10AD52
Created by
admin on Fri Dec 15 16:35:47 UTC 2023 , Edited by admin on Fri Dec 15 16:35:47 UTC 2023
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LIVERTOX |
NBK548176
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LIVERTOX |
NBK548710
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NDF-RT |
N0000175594
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admin on Fri Dec 15 16:35:47 UTC 2023 , Edited by admin on Fri Dec 15 16:35:47 UTC 2023
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WHO-VATC |
QC04AC01
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admin on Fri Dec 15 16:35:47 UTC 2023 , Edited by admin on Fri Dec 15 16:35:47 UTC 2023
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CFR |
21 CFR 184.1530
Created by
admin on Fri Dec 15 16:35:47 UTC 2023 , Edited by admin on Fri Dec 15 16:35:47 UTC 2023
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LOINC |
10836-5
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admin on Fri Dec 15 16:35:47 UTC 2023 , Edited by admin on Fri Dec 15 16:35:47 UTC 2023
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EPA PESTICIDE CODE |
56701
Created by
admin on Fri Dec 15 16:35:47 UTC 2023 , Edited by admin on Fri Dec 15 16:35:47 UTC 2023
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WHO-VATC |
QC10AD02
Created by
admin on Fri Dec 15 16:35:47 UTC 2023 , Edited by admin on Fri Dec 15 16:35:47 UTC 2023
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DSLD |
2544 (Number of products:3520)
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admin on Fri Dec 15 16:35:47 UTC 2023 , Edited by admin on Fri Dec 15 16:35:47 UTC 2023
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NDF-RT |
N0000007641
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admin on Fri Dec 15 16:35:47 UTC 2023 , Edited by admin on Fri Dec 15 16:35:47 UTC 2023
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WHO-ATC |
C10AD52
Created by
admin on Fri Dec 15 16:35:47 UTC 2023 , Edited by admin on Fri Dec 15 16:35:47 UTC 2023
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LOINC |
34342-6
Created by
admin on Fri Dec 15 16:35:47 UTC 2023 , Edited by admin on Fri Dec 15 16:35:47 UTC 2023
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WHO-VATC |
QC10BA01
Created by
admin on Fri Dec 15 16:35:47 UTC 2023 , Edited by admin on Fri Dec 15 16:35:47 UTC 2023
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DSLD |
1570 (Number of products:100)
Created by
admin on Fri Dec 15 16:35:47 UTC 2023 , Edited by admin on Fri Dec 15 16:35:47 UTC 2023
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NCI_THESAURUS |
C45812
Created by
admin on Fri Dec 15 16:35:47 UTC 2023 , Edited by admin on Fri Dec 15 16:35:47 UTC 2023
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WHO-ATC |
C10BA01
Created by
admin on Fri Dec 15 16:35:47 UTC 2023 , Edited by admin on Fri Dec 15 16:35:47 UTC 2023
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CFR |
21 CFR 102.23
Created by
admin on Fri Dec 15 16:35:47 UTC 2023 , Edited by admin on Fri Dec 15 16:35:47 UTC 2023
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NDF-RT |
N0000007641
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admin on Fri Dec 15 16:35:47 UTC 2023 , Edited by admin on Fri Dec 15 16:35:47 UTC 2023
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LOINC |
18244-4
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admin on Fri Dec 15 16:35:47 UTC 2023 , Edited by admin on Fri Dec 15 16:35:47 UTC 2023
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LOINC |
2656-7
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admin on Fri Dec 15 16:35:47 UTC 2023 , Edited by admin on Fri Dec 15 16:35:47 UTC 2023
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WHO-ATC |
C04AC01
Created by
admin on Fri Dec 15 16:35:47 UTC 2023 , Edited by admin on Fri Dec 15 16:35:47 UTC 2023
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DSLD |
204 (Number of products:661)
Created by
admin on Fri Dec 15 16:35:47 UTC 2023 , Edited by admin on Fri Dec 15 16:35:47 UTC 2023
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WHO-ATC |
C10AD02
Created by
admin on Fri Dec 15 16:35:47 UTC 2023 , Edited by admin on Fri Dec 15 16:35:47 UTC 2023
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LOINC |
79402-4
Created by
admin on Fri Dec 15 16:35:47 UTC 2023 , Edited by admin on Fri Dec 15 16:35:47 UTC 2023
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Code System | Code | Type | Description | ||
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2835
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C689
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D009525
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CHEMBL573
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SUB09247MIG
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m7880
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PRIMARY | Merck Index | ||
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NIACIN
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176839
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PRIMARY | |||
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938
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PRIMARY | |||
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2679MF687A
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PRIMARY | |||
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17154
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PRIMARY | |||
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DTXSID1020932
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15940
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1461003
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100000092214
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admin on Fri Dec 15 16:35:47 UTC 2023 , Edited by admin on Fri Dec 15 16:35:47 UTC 2023
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200-441-0
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169454
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373
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3134
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DB00627
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7393
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admin on Fri Dec 15 16:35:47 UTC 2023 , Edited by admin on Fri Dec 15 16:35:47 UTC 2023
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PRIMARY | RxNorm | ||
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NIACIN
Created by
admin on Fri Dec 15 16:35:47 UTC 2023 , Edited by admin on Fri Dec 15 16:35:47 UTC 2023
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PRIMARY | Description: Colourless crystals or a white, crystalline powder; odourless or almost odourless. Solubility: Sparingly soluble in water; freely soluble in boiling water; soluble in 100 parts of ethanol (~750 g/l) TS; practicallyinsoluble in ether R. Category: Component of vitamin B complex; vasodilator. Storage: Nicotinic acid should be kept in a well-closed container, protected from light. Definition: Nicotinic acid contains not less than 99.0% and not more than 101.0% of C6H5NO2, calculated with reference to thedried substance. | ||
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59-67-6
Created by
admin on Fri Dec 15 16:35:47 UTC 2023 , Edited by admin on Fri Dec 15 16:35:47 UTC 2023
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PRIMARY | |||
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2679MF687A
Created by
admin on Fri Dec 15 16:35:47 UTC 2023 , Edited by admin on Fri Dec 15 16:35:47 UTC 2023
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PRIMARY |
Related Record | Type | Details | ||
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SALT/SOLVATE -> PARENT |
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SALT/SOLVATE -> PARENT |
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SALT/SOLVATE -> PARENT |
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SALT/SOLVATE -> PARENT |
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SALT/SOLVATE -> PARENT |
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SALT/SOLVATE -> PARENT |
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SALT/SOLVATE -> PARENT |
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SALT/SOLVATE -> PARENT |
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PARENT -> CONSTITUENT ALWAYS PRESENT |
Nutritional value per 100 g (3.5 oz) - 0.639 mg (4%)
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SALT/SOLVATE -> PARENT |
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TARGET -> AGONIST |
AGONIST
EC50
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SALT/SOLVATE -> PARENT |
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SALT/SOLVATE -> PARENT |
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Related Record | Type | Details | ||
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METABOLITE -> PARENT |
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METABOLITE -> PARENT |
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Related Record | Type | Details | ||
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PARENT -> IMPURITY |
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP
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Related Record | Type | Details | ||
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ACTIVE MOIETY |
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Name | Property Type | Amount | Referenced Substance | Defining | Parameters | References |
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Biological Half-life | PHARMACOKINETIC |
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Elimination PHARMACOKINETIC |
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