Details
Stereochemistry | ABSOLUTE |
Molecular Formula | 2C6H10NO3.Fe.2H2O |
Molecular Weight | 380.173 |
Optical Activity | UNSPECIFIED |
Defined Stereocenters | 4 / 4 |
E/Z Centers | 2 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
O.O.[Fe++].CC=N[C@@H]([C@@H](C)O)C([O-])=O.CC=N[C@@H]([C@@H](C)O)C([O-])=O
InChI
InChIKey=IWQQNDAAVPMDJR-NJBPEGNOSA-L
InChI=1S/2C6H11NO3.Fe.2H2O/c2*1-3-7-5(4(2)8)6(9)10;;;/h2*3-5,8H,1-2H3,(H,9,10);;2*1H2/q;;+2;;/p-2/b2*7-3-;;;/t2*4-,5+;;;/m11.../s1
Molecular Formula | C6H11NO3 |
Molecular Weight | 145.1564 |
Charge | 0 |
Count |
|
Stereochemistry | ABSOLUTE |
Additional Stereochemistry | No |
Defined Stereocenters | 2 / 2 |
E/Z Centers | 1 |
Optical Activity | UNSPECIFIED |
Molecular Formula | Fe |
Molecular Weight | 55.845 |
Charge | 2 |
Count |
|
Stereochemistry | ACHIRAL |
Additional Stereochemistry | No |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 0 |
Optical Activity | NONE |
Molecular Formula | HO |
Molecular Weight | 17.0073 |
Charge | -1 |
Count |
|
Stereochemistry | ACHIRAL |
Additional Stereochemistry | No |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 0 |
Optical Activity | NONE |
Sample Use Guides
In Vivo Use Guide
Sources: https://www.drugfuture.com/toxic/q70-q623.html
Curator's Comment: Toxicity data in mice.
Oral LD50 >3 mg/kg. Intraperitoneal LD50 634 mg/kg.
Route of Administration:
Other
Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 16:48:23 GMT 2023
by
admin
on
Sat Dec 16 16:48:23 GMT 2023
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Record UNII |
659UMG7GHK
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Record Status |
Validated (UNII)
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Record Version |
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-
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Code System | Code | Type | Description | ||
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C166902
Created by
admin on Sat Dec 16 16:48:24 GMT 2023 , Edited by admin on Sat Dec 16 16:48:24 GMT 2023
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659UMG7GHK
Created by
admin on Sat Dec 16 16:48:24 GMT 2023 , Edited by admin on Sat Dec 16 16:48:24 GMT 2023
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1954
Created by
admin on Sat Dec 16 16:48:24 GMT 2023 , Edited by admin on Sat Dec 16 16:48:24 GMT 2023
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100000080962
Created by
admin on Sat Dec 16 16:48:24 GMT 2023 , Edited by admin on Sat Dec 16 16:48:24 GMT 2023
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15339-50-1
Created by
admin on Sat Dec 16 16:48:24 GMT 2023 , Edited by admin on Sat Dec 16 16:48:24 GMT 2023
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SUB07614MIG
Created by
admin on Sat Dec 16 16:48:24 GMT 2023 , Edited by admin on Sat Dec 16 16:48:24 GMT 2023
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76964601
Created by
admin on Sat Dec 16 16:48:24 GMT 2023 , Edited by admin on Sat Dec 16 16:48:24 GMT 2023
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PRIMARY |
Related Record | Type | Details | ||
---|---|---|---|---|
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PARENT -> SALT/SOLVATE | |||
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ANHYDROUS->SOLVATE |