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
Approval Year
| Name | Type | Language | ||
|---|---|---|---|---|
|
Preferred Name | English |
| Code System | Code | Type | Description | ||
|---|---|---|---|---|---|
|
139593400
Created by
admin on Wed Apr 02 05:12:09 GMT 2025 , Edited by admin on Wed Apr 02 05:12:09 GMT 2025
|
PRIMARY | |||
|
1A70JYF32J
Created by
admin on Wed Apr 02 05:12:09 GMT 2025 , Edited by admin on Wed Apr 02 05:12:09 GMT 2025
|
PRIMARY |
SUBSTANCE RECORD
