Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C21H30F6O3 |
| Molecular Weight | 444.4515 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 2 / 2 |
| E/Z Centers | 2 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
CC(C)(CCC\C=C\C=C1C[C@@H](O)C[C@H](O)C1)C\C=C/C(O)(C(F)(F)F)C(F)(F)F
InChI
InChIKey=PKGBMNJPRJDFJA-KROAHAAKSA-N
InChI=1S/C21H30F6O3/c1-18(2,10-7-11-19(30,20(22,23)24)21(25,26)27)9-6-4-3-5-8-15-12-16(28)14-17(29)13-15/h3,5,7-8,11,16-17,28-30H,4,6,9-10,12-14H2,1-2H3/b5-3+,11-7-/t16-,17-/m1/s1
| Molecular Formula | C21H30F6O3 |
| Molecular Weight | 444.4515 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 2 / 2 |
| E/Z Centers | 2 |
| Optical Activity | UNSPECIFIED |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 11:29:50 GMT 2023
by
admin
on
Sat Dec 16 11:29:50 GMT 2023
|
| Record UNII |
T6435K3VRK
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
Download
| Name | Type | Language | ||
|---|---|---|---|---|
|
Code | English | ||
|
Systematic Name | English | ||
|
Code | English | ||
|
Code | English | ||
|
Systematic Name | English |
| Code System | Code | Type | Description | ||
|---|---|---|---|---|---|
|
RO-65-2299
Created by
admin on Sat Dec 16 11:29:50 GMT 2023 , Edited by admin on Sat Dec 16 11:29:50 GMT 2023
|
PRIMARY | |||
|
9911311
Created by
admin on Sat Dec 16 11:29:50 GMT 2023 , Edited by admin on Sat Dec 16 11:29:50 GMT 2023
|
PRIMARY | |||
|
241151-12-2
Created by
admin on Sat Dec 16 11:29:50 GMT 2023 , Edited by admin on Sat Dec 16 11:29:50 GMT 2023
|
PRIMARY | |||
|
T6435K3VRK
Created by
admin on Sat Dec 16 11:29:50 GMT 2023 , Edited by admin on Sat Dec 16 11:29:50 GMT 2023
|
PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
|
ACTIVE MOIETY |
Class: Antipsoriatic; Cyclohexane; Small molecule
Mechanism of Action: Vitamin D3 stimulant for Psoriasis
|
||
|
ACTIVE MOIETY |
Chemical synthesis of BAL-2299
|
