Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C23H31N3O2.C7H6O2.H2O |
| Molecular Weight | 521.6478 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 2 / 2 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
O.OC(=O)C1=CC=CC=C1.CCCNC(=O)C2=CC=C(C=C2)N(C)[C@H](CN3CC[C@H](O)C3)C4=CC=CC=C4
InChI
InChIKey=ULOWTTTYRLYRPW-VSIGASKDSA-N
InChI=1S/C23H31N3O2.C7H6O2.H2O/c1-3-14-24-23(28)19-9-11-20(12-10-19)25(2)22(18-7-5-4-6-8-18)17-26-15-13-21(27)16-26;8-7(9)6-4-2-1-3-5-6;/h4-12,21-22,27H,3,13-17H2,1-2H3,(H,24,28);1-5H,(H,8,9);1H2/t21-,22+;;/m0../s1
| Molecular Formula | C7H6O2 |
| Molecular Weight | 122.1213 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
| Molecular Formula | C23H31N3O2 |
| Molecular Weight | 381.5111 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 2 / 2 |
| 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
Fri Dec 15 15:41:26 UTC 2023
by
admin
on
Fri Dec 15 15:41:26 UTC 2023
|
| Record UNII |
U8Q66FHB1C
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
Download
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Systematic Name | English |
| Code System | Code | Type | Description | ||
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646041-98-7
Created by
admin on Fri Dec 15 15:41:26 UTC 2023 , Edited by admin on Fri Dec 15 15:41:26 UTC 2023
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PRIMARY | |||
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72941841
Created by
admin on Fri Dec 15 15:41:26 UTC 2023 , Edited by admin on Fri Dec 15 15:41:26 UTC 2023
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PRIMARY | |||
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U8Q66FHB1C
Created by
admin on Fri Dec 15 15:41:26 UTC 2023 , Edited by admin on Fri Dec 15 15:41:26 UTC 2023
|
PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
|
ANHYDROUS->SOLVATE | |||
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PARENT -> SALT/SOLVATE |
| Related Record | Type | Details | ||
|---|---|---|---|---|
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ACTIVE MOIETY |
