(S)-1-(4-fluorophenyl)-4-(3,4,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indol-2(1H)-yl)butan-1-one (CAS 42021-35-2) — formula C24H26FN3O, molecular weight 391.5; category organic chemicals.
| CAS Number | 42021-35-2 |
|---|---|
| Molecular Formula | C24H26FN3O |
| Molecular Weight | 391.5 |
| LogP | 2.8 |
| Category | Organic Chemicals |
(S)-1-(4-fluorophenyl)-4-(3,4,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indol-2(1H)-yl)butan-1-one is a carbon-based organic compound with CAS registry number 42021-35-2 and molecular formula C24H26FN3O (molecular weight 391.5), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 42021-35-2
Its molecular formula C24H26FN3O comprises 24 C, 26 H, 1 F, 3 N, 1 O atoms.
Also known as: (S)-1-(4-fluorophenyl)-4-(3,4,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indol-2(1H)-yl)butan-1-one · (S)-1-(4-氟苯基)-4-(3,4,6,7,12,12a-六氢吡嗪基[1',2':1,6]吡啶并[3,4-b]吲哚-2(1H)-基)丁-1-酮
Category: organic chemicals
The CAS registry number of (S)-1-(4-fluorophenyl)-4-(3,4,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indol-2(1H)-yl)butan-1-one is 42021-35-2.
Molecular formula C24H26FN3O, molecular weight 391.5.
It is also registered under: (S)-1-(4-fluorophenyl)-4-(3,4,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indol-2(1H)-yl)butan-1-one, (S)-1-(4-氟苯基)-4-(3,4,6,7,12,12a-六氢吡嗪基[1',2':1,6]吡啶并[3,4-b]吲哚-2(1H)-基)丁-1-酮.
Category: Organic Chemicals.
Independent reference data for (S)-1-(4-fluorophenyl)-4-(3,4,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indol-2(1H)-yl)butan-1-one (CAS 42021-35-2), compiled from public chemistry databases.
| CAS 号 | 42021-35-2 |
|---|---|
| PubChem CID | 198236 |
| 分子式 | C24H26FN3O |
| IUPAC 名称 | 1-(4-fluorophenyl)-4-[(8S)-3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraen-6-yl]butan-1-one |
| UNII（FDA） | D71R962IV6 |
| Molecular Weight | 391.5 |
|---|---|
| XLogP3 | 2.8 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 5 |
| Exact Mass | 391.20599062 |
| Monoisotopic Mass | 391.20599062 |
| Topological Polar Surface Area | 39.3 |
| Heavy Atom Count | 29 |
Biriperone, (S)-; 42021-35-2; D71R962IV6; DTXSID201107996; RefChem:1054375; DTXCID701539641; 255-630-0; EINECS 255-630-0; Pyrazino(1',2':1,6)pyrido(3,4-b)indole, 1,2,3,4,6,7,12,12a-octahydro-2-(3-(p-fluorobenzoyl)propyl)-, l-; UNII-D71R962IV6; CENTBUTINDOLE, (-)-; YCNCIZWAGQTWBI-IBGZPJMESA-N; (S)-1-(4-Fluorophenyl)-4-(3,4,6,7,12,12a-hexahydropyrazino(1',2':1,6)pyrido(3,4-b)indol-2(1H)-yl)butan-1-one; NS00056778
(S)-1-(4-氟苯基)-4-(3,4,6,7,12,12a-六氢吡嗪基[1',2':1,6]吡啶并[3,4-b]吲哚-2(1H)-基)丁-1-酮 · CAS 42021-35-2 · C24H26FN3O. UNII D71R962IV6.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: (S)-1-(4-氟苯基)-4-(3,4,6,7,12,12a-六氢吡嗪基[1',2':1,6]吡啶并[3,4-b]吲哚-2(1H)-基)丁-1-酮