Details
| Stereochemistry | ACHIRAL |
| Molecular Formula | C7H7N4O2.C6H11O7.Ca |
| Molecular Weight | 414.381 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 4 / 4 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
[Ca++].CN1C=NC2=C1C(=O)[N-]C(=O)N2C.OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C([O-])=O
InChI
InChIKey=YUMGBTPDXDOEGH-PVBYDLIKSA-L
InChI=1S/C7H8N4O2.C6H12O7.Ca/c1-10-3-8-5-4(10)6(12)9-7(13)11(5)2;7-1-2(8)3(9)4(10)5(11)6(12)13;/h3H,1-2H3,(H,9,12,13);2-5,7-11H,1H2,(H,12,13);/q;;+2/p-2/t;2-,3-,4+,5-;/m.1./s1
| 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 | C6H10O7 |
| Molecular Weight | 194.1394 |
| Charge | -2 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 4 / 4 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
| Molecular Formula | C7H8N4O2 |
| Molecular Weight | 180.164 |
| Charge | 0 |
| 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
Fri Dec 15 15:06:45 UTC 2023
by
admin
on
Fri Dec 15 15:06:45 UTC 2023
|
| Record UNII |
C8T5Q6L2DE
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
Download
| Name | Type | Language | ||
|---|---|---|---|---|
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Common Name | English |
| Code System | Code | Type | Description | ||
|---|---|---|---|---|---|
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10125-98-1
Created by
admin on Fri Dec 15 15:06:45 UTC 2023 , Edited by admin on Fri Dec 15 15:06:45 UTC 2023
|
NON-SPECIFIC STOICHIOMETRY | |||
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91826809
Created by
admin on Fri Dec 15 15:06:45 UTC 2023 , Edited by admin on Fri Dec 15 15:06:45 UTC 2023
|
PRIMARY | |||
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C8T5Q6L2DE
Created by
admin on Fri Dec 15 15:06:45 UTC 2023 , Edited by admin on Fri Dec 15 15:06:45 UTC 2023
|
PRIMARY |
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PARENT -> SALT/SOLVATE | |||
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PARENT -> SALT/SOLVATE |
| Related Record | Type | Details | ||
|---|---|---|---|---|
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ACTIVE MOIETY |