Rolapitant (CAS 552292-08-7) — formula C25H26F6N2O2, molecular weight 500.5; category organic chemicals.
| CAS Number | 552292-08-7 |
|---|---|
| Molecular Formula | C25H26F6N2O2 |
| Molecular Weight | 500.5 |
| LogP | 4.4 |
| Category | Organic Chemicals |
Rolapitant is a carbon-based organic compound with CAS registry number 552292-08-7 and molecular formula C25H26F6N2O2 (molecular weight 500.5), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 552292-08-7
Its molecular formula C25H26F6N2O2 comprises 25 C, 26 H, 6 F, 2 N, 2 O atoms.
Also known as: Rolapitant · 罗拉吡坦
Category: organic chemicals
The CAS registry number of Rolapitant is 552292-08-7.
Molecular formula C25H26F6N2O2, molecular weight 500.5.
It is also registered under: Rolapitant, 罗拉吡坦.
Category: Organic Chemicals.
Independent reference data for Rolapitant (CAS 552292-08-7), compiled from public chemistry databases.
| CAS Registry Number | 552292-08-7 |
|---|---|
| PubChem CID | 10311306 |
| Molecular formula | C25H26F6N2O2 |
| IUPAC name | (5S,8S)-8-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-8-phenyl-1,9-diazaspiro[4.5]decan-2-one |
| UNII (FDA) | NLE429IZUC |
| Molecular Weight | 500.5 |
|---|---|
| XLogP3 | 4.4 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 9 |
| Rotatable Bond Count | 5 |
| Exact Mass | 500.18984705 |
| Monoisotopic Mass | 500.18984705 |
| Topological Polar Surface Area | 50.4 |
| Heavy Atom Count | 35 |
Rolapitant; 552292-08-7; NLE429IZUC; Varuby; (5S,8S)-8-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-8-phenyl-1,9-diazaspiro[4.5]decan-2-one; CHEBI:90908; A04AD14; DTXSID90203740; (5S,8S)-8-(((1R)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)methyl)-8-phenyl-1,7-diazaspiro(4.5)decan-2-one; (5S,8S)-8-({(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy}methyl)-8-phenyl-1,7-diazaspiro[4.5]decan-2-one; (5S,8S)-8-{[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl}-8-phenyl-1,7-diazaspiro[4.5]decan-2-one; 1,7-DIAZASPIRO(4.5)DECAN-2-ONE, 8-(((1R)-1-(3,5-BIS(TRIFLUOROMETHYL)PHENYL)ETHOXY)METHYL)-8-PHENYL-, (5S,8S)-; rolapitantum; (5S,8S)-8-(((1R)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)methyl)-8-phenyl-1,9-diazaspiro(4.5)decan-2-one; RefChem:57237; DTXCID20126231
| Reported hazard statements | H361 (100%) |
|---|
H361 (100%): Suspected of damaging fertility or the unborn child [Warning Reproductive toxicity]
P203, P280, P318, P405, and P501 (click each P-code to see the statement)
Rolapitant · CAS 552292-08-7 · C25H26F6N2O2. UNII NLE429IZUC.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 罗拉吡坦