Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C15H15NO4.ClH.H2O |
| Molecular Weight | 327.76 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 1 / 1 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
O.Cl.OC1=CC=C(C=C1O)[C@@H]2CNCC3=C2C=CC(O)=C3O
InChI
InChIKey=KFGFDNWWVXERDQ-XRIOVQLTSA-N
InChI=1S/C15H15NO4.ClH.H2O/c17-12-3-1-8(5-14(12)19)10-6-16-7-11-9(10)2-4-13(18)15(11)20;;/h1-5,10,16-20H,6-7H2;1H;1H2/t10-;;/m0../s1
| Molecular Formula | ClH |
| Molecular Weight | 36.461 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
| 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 | C15H15NO4 |
| Molecular Weight | 273.2839 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 1 / 1 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 05:37:00 UTC 2023
by
admin
on
Sat Dec 16 05:37:00 UTC 2023
|
| Record UNII |
5Q871HX1RH
|
| Record Status |
Validated (UNII)
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| Record Version |
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-
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5Q871HX1RH
Created by
admin on Sat Dec 16 05:37:01 UTC 2023 , Edited by admin on Sat Dec 16 05:37:01 UTC 2023
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PRIMARY | |||
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53297472
Created by
admin on Sat Dec 16 05:37:01 UTC 2023 , Edited by admin on Sat Dec 16 05:37:01 UTC 2023
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PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
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PARENT -> SALT/SOLVATE | |||
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ANHYDROUS->SOLVATE |
| Related Record | Type | Details | ||
|---|---|---|---|---|
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ACTIVE MOIETY |