Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C16H17NO4.ClH.H2O |
| Molecular Weight | 341.787 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 4 / 4 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
O.Cl.[H][C@@]12N3CCC1=C[C@H](O)[C@@H](O)[C@@]2([H])C4=CC5=C(OCO5)C=C4C3
InChI
InChIKey=ZOERACVSGIQXBP-CANOEZFNSA-N
InChI=1S/C16H17NO4.ClH.H2O/c18-11-3-8-1-2-17-6-9-4-12-13(21-7-20-12)5-10(9)14(15(8)17)16(11)19;;/h3-5,11,14-16,18-19H,1-2,6-7H2;1H;1H2/t11-,14-,15+,16+;;/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 | C16H17NO4 |
| Molecular Weight | 287.3105 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 4 / 4 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 08:54:12 UTC 2023
by
admin
on
Sat Dec 16 08:54:12 UTC 2023
|
| Record UNII |
MV74FFE325
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
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| Code System | Code | Type | Description | ||
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6150-58-9
Created by
admin on Sat Dec 16 08:54:12 UTC 2023 , Edited by admin on Sat Dec 16 08:54:12 UTC 2023
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MV74FFE325
Created by
admin on Sat Dec 16 08:54:12 UTC 2023 , Edited by admin on Sat Dec 16 08:54:12 UTC 2023
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m6957
Created by
admin on Sat Dec 16 08:54:12 UTC 2023 , Edited by admin on Sat Dec 16 08:54:12 UTC 2023
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PRIMARY | Merck Index | ||
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300000017204
Created by
admin on Sat Dec 16 08:54:12 UTC 2023 , Edited by admin on Sat Dec 16 08:54:12 UTC 2023
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70446239
Created by
admin on Sat Dec 16 08:54:12 UTC 2023 , Edited by admin on Sat Dec 16 08:54:12 UTC 2023
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PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
|
ANHYDROUS->SOLVATE |