Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C19H23NO3.C10H16O4S.H2O |
| Molecular Weight | 563.703 |
| Optical Activity | ( - ) |
| Defined Stereocenters | 3 / 3 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
O.CC1(C)[C@@H]2CC[C@@]1(CS(O)(=O)=O)C(=O)C2.COC3=CC4=C(C=C3OC)[C@@H](CC5=CC=C(O)C=C5)N(C)CC4
InChI
InChIKey=DFYMAKPARWKURE-GIIXWDPPSA-N
InChI=1S/C19H23NO3.C10H16O4S.H2O/c1-20-9-8-14-11-18(22-2)19(23-3)12-16(14)17(20)10-13-4-6-15(21)7-5-13;1-9(2)7-3-4-10(9,8(11)5-7)6-15(12,13)14;/h4-7,11-12,17,21H,8-10H2,1-3H3;7H,3-6H2,1-2H3,(H,12,13,14);1H2/t17-;7-,10-;/m11./s1
| Molecular Formula | C19H23NO3 |
| Molecular Weight | 313.3908 |
| 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 | C10H16O4S |
| Molecular Weight | 232.297 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 2 / 2 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 04:16:11 GMT 2023
by
admin
on
Sat Dec 16 04:16:11 GMT 2023
|
| Record UNII |
I1C7B5HE5I
|
| Record Status |
Validated (UNII)
|
| Record Version |
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-
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| Code System | Code | Type | Description | ||
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m2048
Created by
admin on Sat Dec 16 04:16:11 GMT 2023 , Edited by admin on Sat Dec 16 04:16:11 GMT 2023
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PRIMARY | Merck Index | ||
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I1C7B5HE5I
Created by
admin on Sat Dec 16 04:16:11 GMT 2023 , Edited by admin on Sat Dec 16 04:16:11 GMT 2023
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PRIMARY | |||
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76961697
Created by
admin on Sat Dec 16 04:16:11 GMT 2023 , Edited by admin on Sat Dec 16 04:16:11 GMT 2023
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PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
|
ANHYDROUS->SOLVATE |
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|
PARENT -> SALT/SOLVATE |
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