Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C9H10NO3.C4H8N2O3.3C4H6NO4.Ca.2H |
| Molecular Weight | 750.677 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 5 / 5 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
[H+].[H+].[Ca++].N[C@@H](CC(N)=O)C(O)=O.N[C@@H](CC([O-])=O)C(O)=O.N[C@@H](CC([O-])=O)C(O)=O.N[C@@H](CC([O-])=O)C(O)=O.N[C@@H](CC1=CC=C([O-])C=C1)C(O)=O
InChI
InChIKey=CNYYVWZRMLGSQC-ALFJZUFNSA-L
InChI=1S/C9H11NO3.C4H8N2O3.3C4H7NO4.Ca/c10-8(9(12)13)5-6-1-3-7(11)4-2-6;4*5-2(4(8)9)1-3(6)7;/h1-4,8,11H,5,10H2,(H,12,13);2H,1,5H2,(H2,6,7)(H,8,9);3*2H,1,5H2,(H,6,7)(H,8,9);/q;;;;;+2/p-2/t8-;4*2-;/m00000./s1
| Molecular Formula | C9H10NO3 |
| Molecular Weight | 180.1806 |
| Charge | -1 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 1 / 1 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
| Molecular Formula | H |
| Molecular Weight | 1.0079 |
| Charge | 1 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
| Molecular Formula | C4H8N2O3 |
| Molecular Weight | 132.1179 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 1 / 1 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
| Molecular Formula | C4H6NO4 |
| Molecular Weight | 132.0947 |
| Charge | -1 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 1 / 1 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
| Molecular Formula | Ca |
| Molecular Weight | 40.078 |
| Charge | 2 |
| 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
Sat Dec 16 14:34:18 GMT 2023
by
admin
on
Sat Dec 16 14:34:18 GMT 2023
|
| Record UNII |
QH9YLC4UT2
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
Download
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Common Name | English |
| Code System | Code | Type | Description | ||
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138454959
Created by
admin on Sat Dec 16 14:34:18 GMT 2023 , Edited by admin on Sat Dec 16 14:34:18 GMT 2023
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PRIMARY | |||
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QH9YLC4UT2
Created by
admin on Sat Dec 16 14:34:18 GMT 2023 , Edited by admin on Sat Dec 16 14:34:18 GMT 2023
|
PRIMARY |