Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | 2C14H23NO.2C4H4O4.H2O |
| Molecular Weight | 692.8366 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 4 / 4 |
| E/Z Centers | 2 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
O.OC(=O)\C=C/C(O)=O.OC(=O)\C=C/C(O)=O.CC[C@H]([C@@H](C)CN(C)C)C1=CC=CC(O)=C1.CC[C@H]([C@@H](C)CN(C)C)C2=CC=CC(O)=C2
InChI
InChIKey=ZDYFCLLYJFXWDY-ALHIZKRASA-N
InChI=1S/2C14H23NO.2C4H4O4.H2O/c2*1-5-14(11(2)10-15(3)4)12-7-6-8-13(16)9-12;2*5-3(6)1-2-4(7)8;/h2*6-9,11,14,16H,5,10H2,1-4H3;2*1-2H,(H,5,6)(H,7,8);1H2/b;;2*2-1-;/t2*11-,14+;;;/m00.../s1
| 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 | C14H23NO |
| Molecular Weight | 221.3385 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 2 / 2 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
| Molecular Formula | C4H4O4 |
| Molecular Weight | 116.0722 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 1 |
| Optical Activity | NONE |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 19:10:55 UTC 2023
by
admin
on
Sat Dec 16 19:10:55 UTC 2023
|
| Record UNII |
KX7V4GP9RS
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
Download
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Systematic Name | English | ||
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Systematic Name | English |
| Code System | Code | Type | Description | ||
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76903475
Created by
admin on Sat Dec 16 19:10:55 UTC 2023 , Edited by admin on Sat Dec 16 19:10:55 UTC 2023
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PRIMARY | |||
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300000016880
Created by
admin on Sat Dec 16 19:10:55 UTC 2023 , Edited by admin on Sat Dec 16 19:10:55 UTC 2023
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PRIMARY | |||
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KX7V4GP9RS
Created by
admin on Sat Dec 16 19:10:55 UTC 2023 , Edited by admin on Sat Dec 16 19:10:55 UTC 2023
|
PRIMARY |
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PARENT -> SALT/SOLVATE |
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ANHYDROUS->SOLVATE |
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ACTIVE MOIETY |
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