Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C20H23N7O6.Ca.5H2O |
| Molecular Weight | 587.594 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 2 / 2 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
O.O.O.O.O.[Ca++].CN1[C@@H](CNC2=CC=C(C=C2)C(=O)N[C@@H](CCC([O-])=O)C([O-])=O)CNC3=C1C(=O)NC(N)=N3
InChI
InChIKey=NVLUUBHWPOLECI-BWDMFOMUSA-L
InChI=1S/C20H25N7O6.Ca.5H2O/c1-27-12(9-23-16-15(27)18(31)26-20(21)25-16)8-22-11-4-2-10(3-5-11)17(30)24-13(19(32)33)6-7-14(28)29;;;;;;/h2-5,12-13,22H,6-9H2,1H3,(H,24,30)(H,28,29)(H,32,33)(H4,21,23,25,26,31);;5*1H2/q;+2;;;;;/p-2/t12-,13-;;;;;;/m0....../s1
| Molecular Formula | H2O |
| Molecular Weight | 18.0153 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
| 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 | C20H25N7O6 |
| Molecular Weight | 459.4558 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 2 / 2 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 11:00:15 UTC 2023
by
admin
on
Sat Dec 16 11:00:15 UTC 2023
|
| Record UNII |
JEC017DJGT
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
Download
| Name | Type | Language | ||
|---|---|---|---|---|
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Common Name | English | ||
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Systematic Name | English |
| Code System | Code | Type | Description | ||
|---|---|---|---|---|---|
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JEC017DJGT
Created by
admin on Sat Dec 16 11:00:15 UTC 2023 , Edited by admin on Sat Dec 16 11:00:15 UTC 2023
|
PRIMARY | |||
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419563-18-1
Created by
admin on Sat Dec 16 11:00:15 UTC 2023 , Edited by admin on Sat Dec 16 11:00:15 UTC 2023
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PRIMARY | |||
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135565054
Created by
admin on Sat Dec 16 11:00:15 UTC 2023 , Edited by admin on Sat Dec 16 11:00:15 UTC 2023
|
PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
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|
PARENT -> SALT/SOLVATE | |||
|
ANHYDROUS->SOLVATE |
| Related Record | Type | Details | ||
|---|---|---|---|---|
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ACTIVE MOIETY |