Details
Stereochemistry | ABSOLUTE |
Molecular Formula | C12H20N4O7.H2O |
Molecular Weight | 350.3251 |
Optical Activity | UNSPECIFIED |
Defined Stereocenters | 5 / 5 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
O.[H][C@]1(OC(=C[C@H](NC(N)=N)[C@H]1NC(C)=O)C(O)=O)[C@H](O)[C@H](O)CO
InChI
InChIKey=OELRRAURPSTFEX-VCFRRRQNSA-N
InChI=1S/C12H20N4O7.H2O/c1-4(18)15-8-5(16-12(13)14)2-7(11(21)22)23-10(8)9(20)6(19)3-17;/h2,5-6,8-10,17,19-20H,3H2,1H3,(H,15,18)(H,21,22)(H4,13,14,16);1H2/t5-,6+,8+,9+,10+;/m0./s1
Molecular Formula | C12H20N4O7 |
Molecular Weight | 332.3098 |
Charge | 0 |
Count |
|
Stereochemistry | ABSOLUTE |
Additional Stereochemistry | No |
Defined Stereocenters | 5 / 5 |
E/Z Centers | 0 |
Optical Activity | UNSPECIFIED |
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 |
Approval Year
Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 08:45:09 UTC 2023
by
admin
on
Sat Dec 16 08:45:09 UTC 2023
|
Record UNII |
9E25RDB1Q0
|
Record Status |
Validated (UNII)
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Record Version |
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-
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551942-41-7
Created by
admin on Sat Dec 16 08:45:09 UTC 2023 , Edited by admin on Sat Dec 16 08:45:09 UTC 2023
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NON-SPECIFIC STOICHIOMETRY | |||
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SUB22616
Created by
admin on Sat Dec 16 08:45:09 UTC 2023 , Edited by admin on Sat Dec 16 08:45:09 UTC 2023
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PRIMARY | |||
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636424
Created by
admin on Sat Dec 16 08:45:09 UTC 2023 , Edited by admin on Sat Dec 16 08:45:09 UTC 2023
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PRIMARY | |||
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9E25RDB1Q0
Created by
admin on Sat Dec 16 08:45:09 UTC 2023 , Edited by admin on Sat Dec 16 08:45:09 UTC 2023
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PRIMARY | |||
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100000086521
Created by
admin on Sat Dec 16 08:45:09 UTC 2023 , Edited by admin on Sat Dec 16 08:45:09 UTC 2023
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PRIMARY |
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IMPURITY -> PARENT |
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EP
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IMPURITY -> PARENT |
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP
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IMPURITY -> PARENT |
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP
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Related Record | Type | Details | ||
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ACTIVE MOIETY |