Details
Stereochemistry | EPIMERIC |
Molecular Formula | C20H21N7O7.Ca |
Molecular Weight | 511.501 |
Optical Activity | UNSPECIFIED |
Defined Stereocenters | 1 / 2 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
[Ca++].NC1=NC(=O)C2=C(NCC(CNC3=CC=C(C=C3)C(=O)N[C@@H](CCC([O-])=O)C([O-])=O)N2C=O)N1
InChI
InChIKey=KVUAALJSMIVURS-ZEDZUCNESA-L
InChI=1S/C20H23N7O7.Ca/c21-20-25-16-15(18(32)26-20)27(9-28)12(8-23-16)7-22-11-3-1-10(2-4-11)17(31)24-13(19(33)34)5-6-14(29)30;/h1-4,9,12-13,22H,5-8H2,(H,24,31)(H,29,30)(H,33,34)(H4,21,23,25,26,32);/q;+2/p-2/t12?,13-;/m0./s1
Molecular Formula | C20H21N7O7 |
Molecular Weight | 471.4234 |
Charge | -2 |
Count |
|
Stereochemistry | EPIMERIC |
Additional Stereochemistry | No |
Defined Stereocenters | 1 / 2 |
E/Z Centers | 0 |
Optical Activity | UNSPECIFIED |
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 |
Approval Year
Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 03:10:23 UTC 2023
by
admin
on
Sat Dec 16 03:10:23 UTC 2023
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Record UNII |
RPR1R4C0P4
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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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WHO-ATC |
V03AF03
Created by
admin on Sat Dec 16 03:10:24 UTC 2023 , Edited by admin on Sat Dec 16 03:10:24 UTC 2023
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WHO-VATC |
QV03AF03
Created by
admin on Sat Dec 16 03:10:24 UTC 2023 , Edited by admin on Sat Dec 16 03:10:24 UTC 2023
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WHO-ESSENTIAL MEDICINES LIST |
8.2
Created by
admin on Sat Dec 16 03:10:24 UTC 2023 , Edited by admin on Sat Dec 16 03:10:24 UTC 2023
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NCI_THESAURUS |
C2078
Created by
admin on Sat Dec 16 03:10:24 UTC 2023 , Edited by admin on Sat Dec 16 03:10:24 UTC 2023
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FDA ORPHAN DRUG |
29288
Created by
admin on Sat Dec 16 03:10:24 UTC 2023 , Edited by admin on Sat Dec 16 03:10:24 UTC 2023
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Code System | Code | Type | Description | ||
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690
Created by
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PRIMARY | |||
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3590
Created by
admin on Sat Dec 16 03:10:24 UTC 2023 , Edited by admin on Sat Dec 16 03:10:24 UTC 2023
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100000090280
Created by
admin on Sat Dec 16 03:10:24 UTC 2023 , Edited by admin on Sat Dec 16 03:10:24 UTC 2023
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1286027
Created by
admin on Sat Dec 16 03:10:24 UTC 2023 , Edited by admin on Sat Dec 16 03:10:24 UTC 2023
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ALTERNATIVE | |||
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RPR1R4C0P4
Created by
admin on Sat Dec 16 03:10:24 UTC 2023 , Edited by admin on Sat Dec 16 03:10:24 UTC 2023
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CHEMBL1679
Created by
admin on Sat Dec 16 03:10:24 UTC 2023 , Edited by admin on Sat Dec 16 03:10:24 UTC 2023
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1358004
Created by
admin on Sat Dec 16 03:10:24 UTC 2023 , Edited by admin on Sat Dec 16 03:10:24 UTC 2023
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78759347
Created by
admin on Sat Dec 16 03:10:24 UTC 2023 , Edited by admin on Sat Dec 16 03:10:24 UTC 2023
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RPR1R4C0P4
Created by
admin on Sat Dec 16 03:10:24 UTC 2023 , Edited by admin on Sat Dec 16 03:10:24 UTC 2023
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SUB21701
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admin on Sat Dec 16 03:10:24 UTC 2023 , Edited by admin on Sat Dec 16 03:10:24 UTC 2023
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1492-18-8
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admin on Sat Dec 16 03:10:24 UTC 2023 , Edited by admin on Sat Dec 16 03:10:24 UTC 2023
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DTXSID20872448
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admin on Sat Dec 16 03:10:24 UTC 2023 , Edited by admin on Sat Dec 16 03:10:24 UTC 2023
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216-082-8
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DB00650
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225852
Created by
admin on Sat Dec 16 03:10:24 UTC 2023 , Edited by admin on Sat Dec 16 03:10:24 UTC 2023
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PRIMARY | RxNorm | ||
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SUB06052MIG
Created by
admin on Sat Dec 16 03:10:24 UTC 2023 , Edited by admin on Sat Dec 16 03:10:24 UTC 2023
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PRIMARY | |||
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C607
Created by
admin on Sat Dec 16 03:10:24 UTC 2023 , Edited by admin on Sat Dec 16 03:10:24 UTC 2023
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PRIMARY |
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IMPURITY -> PARENT |
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IMPURITY -> PARENT |
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ACTIVE MOIETY |
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