Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | 3C10H12N2O3.H2O |
| Molecular Weight | 642.6569 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 3 / 3 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
O.N[C@@H](CC(=O)C1=C(N)C=CC=C1)C(O)=O.N[C@@H](CC(=O)C2=C(N)C=CC=C2)C(O)=O.N[C@@H](CC(=O)C3=C(N)C=CC=C3)C(O)=O
InChI
InChIKey=JXVBVHHEQOIMHW-GJQOQBEKSA-N
InChI=1S/3C10H12N2O3.H2O/c3*11-7-4-2-1-3-6(7)9(13)5-8(12)10(14)15;/h3*1-4,8H,5,11-12H2,(H,14,15);1H2/t3*8-;/m000./s1
| Molecular Formula | C10H12N2O3 |
| Molecular Weight | 208.2139 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 1 / 1 |
| 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 10:59:26 UTC 2023
by
admin
on
Sat Dec 16 10:59:26 UTC 2023
|
| Record UNII |
L47273GINT
|
| Record Status |
Validated (UNII)
|
| Record Version |
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-
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m6646
Created by
admin on Sat Dec 16 10:59:26 UTC 2023 , Edited by admin on Sat Dec 16 10:59:26 UTC 2023
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PRIMARY | Merck Index | ||
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L47273GINT
Created by
admin on Sat Dec 16 10:59:26 UTC 2023 , Edited by admin on Sat Dec 16 10:59:26 UTC 2023
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90478405
Created by
admin on Sat Dec 16 10:59:26 UTC 2023 , Edited by admin on Sat Dec 16 10:59:26 UTC 2023
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PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
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ANHYDROUS->SOLVATE |
