Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C21H27NO4.ClH.2H2O |
| Molecular Weight | 429.935 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 5 / 5 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
O.O.Cl.[H][C@@]12OC3=C4C(C[C@H]5N(CC6CCC6)CC[C@@]14[C@@]5(O)CC[C@@H]2O)=CC=C3O
InChI
InChIKey=RNHFGPXTKSIENU-KXNFBVDOSA-N
InChI=1S/C21H27NO4.ClH.2H2O/c23-14-5-4-13-10-16-21(25)7-6-15(24)19-20(21,17(13)18(14)26-19)8-9-22(16)11-12-2-1-3-12;;;/h4-5,12,15-16,19,23-25H,1-3,6-11H2;1H;2*1H2/t15-,16+,19-,20-,21+;;;/m0.../s1
| 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 | C21H27NO4 |
| Molecular Weight | 357.4434 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 5 / 5 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
| 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 |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 18:46:49 UTC 2023
by
admin
on
Sat Dec 16 18:46:49 UTC 2023
|
| Record UNII |
KNM33P55JH
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
Download
| Name | Type | Language | ||
|---|---|---|---|---|
|
Common Name | English | ||
|
Common Name | English |
| Code System | Code | Type | Description | ||
|---|---|---|---|---|---|
|
KNM33P55JH
Created by
admin on Sat Dec 16 18:46:49 UTC 2023 , Edited by admin on Sat Dec 16 18:46:49 UTC 2023
|
PRIMARY | |||
|
66869337
Created by
admin on Sat Dec 16 18:46:49 UTC 2023 , Edited by admin on Sat Dec 16 18:46:49 UTC 2023
|
PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
|
ANHYDROUS->SOLVATE |
|
||
|
|
PARENT -> SALT/SOLVATE |
|
| Related Record | Type | Details | ||
|---|---|---|---|---|
|
ACTIVE MOIETY |
|