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
Tue Apr 01 16:28:39 GMT 2025
by
admin
on
Tue Apr 01 16:28:39 GMT 2025
|
| Record UNII |
T6435K3VRK
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
Download
| Name | Type | Language | ||
|---|---|---|---|---|
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Code | English | ||
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Preferred Name | English | ||
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Systematic Name | English | ||
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Code | English | ||
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Systematic Name | English |
| Code System | Code | Type | Description | ||
|---|---|---|---|---|---|
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RO-65-2299
Created by
admin on Tue Apr 01 16:28:39 GMT 2025 , Edited by admin on Tue Apr 01 16:28:39 GMT 2025
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PRIMARY | |||
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9911311
Created by
admin on Tue Apr 01 16:28:39 GMT 2025 , Edited by admin on Tue Apr 01 16:28:39 GMT 2025
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PRIMARY | |||
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241151-12-2
Created by
admin on Tue Apr 01 16:28:39 GMT 2025 , Edited by admin on Tue Apr 01 16:28:39 GMT 2025
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PRIMARY | |||
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T6435K3VRK
Created by
admin on Tue Apr 01 16:28:39 GMT 2025 , Edited by admin on Tue Apr 01 16:28:39 GMT 2025
|
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
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