Details
| Stereochemistry | ACHIRAL |
| Molecular Formula | C8H10N4O2.H2O |
| Molecular Weight | 212.2059 |
| Optical Activity | NONE |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
O.CN1C=NC2=C1C(=O)N(C)C(=O)N2C
InChI
InChIKey=LCHGOKZNRDAXEK-UHFFFAOYSA-N
InChI=1S/C8H10N4O2.H2O/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2;/h4H,1-3H3;1H2
Approval Year
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| Classification Tree | Code System | Code | ||
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NCI_THESAURUS |
C47795
Created by
admin on Fri Dec 15 16:59:49 UTC 2023 , Edited by admin on Fri Dec 15 16:59:49 UTC 2023
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| Code System | Code | Type | Description | ||
|---|---|---|---|---|---|
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9T65I06326
Created by
admin on Fri Dec 15 16:59:49 UTC 2023 , Edited by admin on Fri Dec 15 16:59:49 UTC 2023
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PRIMARY | |||
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DTXSID50206015
Created by
admin on Fri Dec 15 16:59:49 UTC 2023 , Edited by admin on Fri Dec 15 16:59:49 UTC 2023
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SUB13152MIG
Created by
admin on Fri Dec 15 16:59:49 UTC 2023 , Edited by admin on Fri Dec 15 16:59:49 UTC 2023
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PRIMARY | |||
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100000076557
Created by
admin on Fri Dec 15 16:59:49 UTC 2023 , Edited by admin on Fri Dec 15 16:59:49 UTC 2023
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PRIMARY | |||
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CAFFEINE MONOHYDRATE
Created by
admin on Fri Dec 15 16:59:49 UTC 2023 , Edited by admin on Fri Dec 15 16:59:49 UTC 2023
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PRIMARY | Description: Silky, colourless crystals or a white, crystalline powder; odourless. Solubility: Soluble in 60 parts of water and in 100 parts of ethanol (~750 g/l) TS; slightly soluble in ether R. Category: Central nervous stimulant. Storage: Caffeine should be kept in a well-closed container. Labelling: The designation on the container of Caffeine should state whether the substance is the monohydrate or is in the anhydrous form. Additional information: Caffeine monohydrate is efflorescent in air. Definition: Caffeine contains not less than 98.5% and not more than 101.0% of C8H10N4O2, calculated with reference to the dried substance. | ||
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C83572
Created by
admin on Fri Dec 15 16:59:49 UTC 2023 , Edited by admin on Fri Dec 15 16:59:49 UTC 2023
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5743-12-4
Created by
admin on Fri Dec 15 16:59:49 UTC 2023 , Edited by admin on Fri Dec 15 16:59:49 UTC 2023
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236112
Created by
admin on Fri Dec 15 16:59:49 UTC 2023 , Edited by admin on Fri Dec 15 16:59:49 UTC 2023
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PRIMARY | RxNorm | ||
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64119
Created by
admin on Fri Dec 15 16:59:49 UTC 2023 , Edited by admin on Fri Dec 15 16:59:49 UTC 2023
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PARENT (SALT/SOLVATE)
SUBSTANCE RECORD
