Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C9H11NO2.C5H8NO4.C4H6NO4.Ca |
| Molecular Weight | 483.483 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 3 / 3 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
[Ca++].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=QQCJNBOKJMYUEC-SHZGYTHCSA-L
InChI=1S/C9H11NO2.C5H9NO4.C4H7NO4.Ca/c10-8(9(11)12)6-7-4-2-1-3-5-7;6-3(5(9)10)1-2-4(7)8;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);2H,1,5H2,(H,6,7)(H,8,9);/q;;;+2/p-2/t8-;3-;2-;/m000./s1
Approval Year
| Name | Type | Language | ||
|---|---|---|---|---|
|
Preferred Name | English |
| Code System | Code | Type | Description | ||
|---|---|---|---|---|---|
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139593429
Created by
admin on Wed Apr 02 03:03:05 GMT 2025 , Edited by admin on Wed Apr 02 03:03:05 GMT 2025
|
PRIMARY | |||
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V0D0KD6LD9
Created by
admin on Wed Apr 02 03:03:05 GMT 2025 , Edited by admin on Wed Apr 02 03:03:05 GMT 2025
|
PRIMARY |
SUBSTANCE RECORD
