Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | 2C18H21NO3.3H2O |
| Molecular Weight | 652.7743 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 6 / 6 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
O.O.O.[H][C@]12CC3=C(C(O)=C(OC)C=C3)[C@@]4(CCN1C)CC(=O)C=C[C@@]24[H].[H][C@]56CC7=C(C(O)=C(OC)C=C7)[C@@]8(CCN5C)CC(=O)C=C[C@@]68[H]
InChI
InChIKey=ZZWNHHZKMKPOOC-MAFHNDHDSA-N
InChI=1S/2C18H21NO3.3H2O/c2*1-19-8-7-18-10-12(20)4-5-13(18)14(19)9-11-3-6-15(22-2)17(21)16(11)18;;;/h2*3-6,13-14,21H,7-10H2,1-2H3;3*1H2/t2*13-,14+,18-;;;/m00.../s1
| Molecular Formula | C18H21NO3 |
| Molecular Weight | 299.3642 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 3 / 3 |
| 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 10:59:43 GMT 2023
by
admin
on
Sat Dec 16 10:59:43 GMT 2023
|
| Record UNII |
94LNO0I922
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
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94LNO0I922
Created by
admin on Sat Dec 16 10:59:43 GMT 2023 , Edited by admin on Sat Dec 16 10:59:43 GMT 2023
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m10698
Created by
admin on Sat Dec 16 10:59:43 GMT 2023 , Edited by admin on Sat Dec 16 10:59:43 GMT 2023
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PRIMARY | Merck Index | ||
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6533-79-5
Created by
admin on Sat Dec 16 10:59:43 GMT 2023 , Edited by admin on Sat Dec 16 10:59:43 GMT 2023
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90479065
Created by
admin on Sat Dec 16 10:59:43 GMT 2023 , Edited by admin on Sat Dec 16 10:59:43 GMT 2023
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PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
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|
PARENT -> SALT/SOLVATE | |||
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ANHYDROUS->SOLVATE |
