Details
Stereochemistry | ABSOLUTE |
Molecular Formula | C20H23N7O6.Ca |
Molecular Weight | 497.518 |
Optical Activity | UNSPECIFIED |
Defined Stereocenters | 2 / 2 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
[Ca++].CN1[C@@H](CNC2=CC=C(C=C2)C(=O)N[C@@H](CCC([O-])=O)C([O-])=O)CNC3=C1C(=O)N=C(N)N3
InChI
InChIKey=VWBBRFHSPXRJQD-QNTKWALQSA-L
InChI=1S/C20H25N7O6.Ca/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);/q;+2/p-2/t12-,13-;/m0./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 | C20H23N7O6 |
Molecular Weight | 457.4399 |
Charge | -2 |
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
Fri Dec 15 15:31:36 GMT 2023
by
admin
on
Fri Dec 15 15:31:36 GMT 2023
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Record UNII |
A9R10K3F2F
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Record Status |
Validated (UNII)
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Record Version |
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-
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Classification Tree | Code System | Code | ||
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FDA ORPHAN DRUG |
428514
Created by
admin on Fri Dec 15 15:31:36 GMT 2023 , Edited by admin on Fri Dec 15 15:31:36 GMT 2023
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Code System | Code | Type | Description | ||
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DTXSID20934277
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PRIMARY | |||
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151533-22-1
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admin on Fri Dec 15 15:31:36 GMT 2023 , Edited by admin on Fri Dec 15 15:31:36 GMT 2023
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PRIMARY | |||
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DBSALT001276
Created by
admin on Fri Dec 15 15:31:36 GMT 2023 , Edited by admin on Fri Dec 15 15:31:36 GMT 2023
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PRIMARY | |||
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C1505
Created by
admin on Fri Dec 15 15:31:36 GMT 2023 , Edited by admin on Fri Dec 15 15:31:36 GMT 2023
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CONCEPT | Dietary Supplement | ||
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SUB31819
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C569381
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C87335
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admin on Fri Dec 15 15:31:36 GMT 2023 , Edited by admin on Fri Dec 15 15:31:36 GMT 2023
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1028454
Created by
admin on Fri Dec 15 15:31:36 GMT 2023 , Edited by admin on Fri Dec 15 15:31:36 GMT 2023
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PRIMARY | RxNorm | ||
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CHEMBL1231574
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102132842
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TT-130
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A9R10K3F2F
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admin on Fri Dec 15 15:31:36 GMT 2023 , Edited by admin on Fri Dec 15 15:31:36 GMT 2023
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A9R10K3F2F
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admin on Fri Dec 15 15:31:36 GMT 2023 , Edited by admin on Fri Dec 15 15:31:36 GMT 2023
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100000124254
Created by
admin on Fri Dec 15 15:31:36 GMT 2023 , Edited by admin on Fri Dec 15 15:31:36 GMT 2023
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129025-21-4
Created by
admin on Fri Dec 15 15:31:36 GMT 2023 , Edited by admin on Fri Dec 15 15:31:36 GMT 2023
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NON-SPECIFIC STOICHIOMETRY |
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PARENT -> SALT/SOLVATE |
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SOLVATE->ANHYDROUS |
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IMPURITY -> PARENT |
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ACTIVE MOIETY |
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