Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C9H11NO2.C5H8NO4.2C4H6NO4.Ca.H |
| Molecular Weight | 616.586 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 4 / 4 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
[H+].[Ca++].N[C@@H](CC([O-])=O)C(O)=O.N[C@@H](CC([O-])=O)C(O)=O.N[C@@H](CCC([O-])=O)C(O)=O.N[C@@H](CC1=CC=CC=C1)C(O)=O
InChI
InChIKey=KZBCNKZZQWRVBM-QCTCBCJNSA-L
InChI=1S/C9H11NO2.C5H9NO4.2C4H7NO4.Ca/c10-8(9(11)12)6-7-4-2-1-3-5-7;6-3(5(9)10)1-2-4(7)8;2*5-2(4(8)9)1-3(6)7;/h1-5,8H,6,10H2,(H,11,12);3H,1-2,6H2,(H,7,8)(H,9,10);2*2H,1,5H2,(H,6,7)(H,8,9);/q;;;;+2/p-2/t8-;3-;2*2-;/m0000./s1
| Molecular Formula | C9H11NO2 |
| Molecular Weight | 165.1891 |
| 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 | C5H8NO4 |
| Molecular Weight | 146.1213 |
| 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 |
| 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 |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 15:18:13 GMT 2023
by
admin
on
Sat Dec 16 15:18:13 GMT 2023
|
| Record UNII |
1A70JYF32J
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
Download
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Common Name | English |
| Code System | Code | Type | Description | ||
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139593400
Created by
admin on Sat Dec 16 15:18:13 GMT 2023 , Edited by admin on Sat Dec 16 15:18:13 GMT 2023
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PRIMARY | |||
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1A70JYF32J
Created by
admin on Sat Dec 16 15:18:13 GMT 2023 , Edited by admin on Sat Dec 16 15:18:13 GMT 2023
|
PRIMARY |