Details
| Stereochemistry | EPIMERIC |
| Molecular Formula | 2C9H13N.C4H7NO4.H2O |
| Molecular Weight | 421.5304 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 1 / 3 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
O.N[C@@H](CC(O)=O)C(O)=O.CC(N)CC1=CC=CC=C1.CC(N)CC2=CC=CC=C2
InChI
InChIKey=DAWXRFCLWKUCNS-MNTSKLTCSA-N
InChI=1S/2C9H13N.C4H7NO4.H2O/c2*1-8(10)7-9-5-3-2-4-6-9;5-2(4(8)9)1-3(6)7;/h2*2-6,8H,7,10H2,1H3;2H,1,5H2,(H,6,7)(H,8,9);1H2/t;;2-;/m..0./s1
| Molecular Formula | C4H7NO4 |
| Molecular Weight | 133.1027 |
| 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 |
| Molecular Formula | C9H13N |
| Molecular Weight | 135.2062 |
| Charge | 0 |
| Count |
|
| Stereochemistry | RACEMIC |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 1 |
| E/Z Centers | 0 |
| Optical Activity | ( + / - ) |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Fri Dec 15 16:38:51 UTC 2023
by
admin
on
Fri Dec 15 16:38:51 UTC 2023
|
| Record UNII |
O1ZPV620O4
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
Download
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851591-76-9
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admin on Fri Dec 15 16:38:51 UTC 2023 , Edited by admin on Fri Dec 15 16:38:51 UTC 2023
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SUB182423
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O1ZPV620O4
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admin on Fri Dec 15 16:38:51 UTC 2023 , Edited by admin on Fri Dec 15 16:38:51 UTC 2023
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O1ZPV620O4
Created by
admin on Fri Dec 15 16:38:51 UTC 2023 , Edited by admin on Fri Dec 15 16:38:51 UTC 2023
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405812
Created by
admin on Fri Dec 15 16:38:51 UTC 2023 , Edited by admin on Fri Dec 15 16:38:51 UTC 2023
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DTXSID50234313
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admin on Fri Dec 15 16:38:51 UTC 2023 , Edited by admin on Fri Dec 15 16:38:51 UTC 2023
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71587816
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DBSALT001501
Created by
admin on Fri Dec 15 16:38:51 UTC 2023 , Edited by admin on Fri Dec 15 16:38:51 UTC 2023
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100000168889
Created by
admin on Fri Dec 15 16:38:51 UTC 2023 , Edited by admin on Fri Dec 15 16:38:51 UTC 2023
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PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
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ANHYDROUS->SOLVATE |
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| Related Record | Type | Details | ||
|---|---|---|---|---|
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ACTIVE MOIETY |
