(4R-CIS)-1,1-DIMETHYLETHYL-6-[2-[2-(4-FLUOROPHENYL)-5-(1-METHYLETHYL)-3-PHENYL-4-[(PHENYLAMINO) CARBONYL]-1H-PYRROL-1-yl]ETHYL]-2,2-DIMETHYL-1,3-DIOXANE-4-ACETATE (CAS 1001659-85-3) — formula C40H47FN2O5, molecular weight 654.8; category organic chemicals.
| CAS Number | 1001659-85-3 |
|---|---|
| Molecular Formula | C40H47FN2O5 |
| Molecular Weight | 654.8 |
| LogP | 7.8 |
| Category | Organic Chemicals |
(4R-CIS)-1,1-DIMETHYLETHYL-6-[2-[2-(4-FLUOROPHENYL)-5-(1-METHYLETHYL)-3-PHENYL-4-[(PHENYLAMINO) CARBONYL]-1H-PYRROL-1-yl]ETHYL]-2,2-DIMETHYL-1,3-DIOXANE-4-ACETATE is a carbon-based organic compound with CAS registry number 1001659-85-3 and molecular formula C40H47FN2O5 (molecular weight 654.8), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 1001659-85-3
Its molecular formula C40H47FN2O5 comprises 40 C, 47 H, 1 F, 2 N, 5 O atoms.
Also known as: (4R-CIS)-1,1-DIMETHYLETHYL-6-[2-[2-(4-FLUOROPHENYL)-5-(1-METHYLETHYL)-3-PHENYL-4-[(PHENYLAMINO) CARBONYL]-1H-PYRROL-1-yl]ETHYL]-2,2-DIMETHYL-1,3-DIOXANE-4-ACETATE · (4R-顺式)-1,1-二甲基乙基-6-[2-[2-(4-氟苯基)-5-(1-甲基)-3-苯基-4-[(苯氨基)羰基]-1H-吡咯-1-基]乙基]-2,2-二甲基-1,3-二恶烷-4-乙酸酯
Category: organic chemicals
The CAS registry number of (4R-CIS)-1,1-DIMETHYLETHYL-6-[2-[2-(4-FLUOROPHENYL)-5-(1-METHYLETHYL)-3-PHENYL-4-[(PHENYLAMINO) CARBONYL]-1H-PYRROL-1-yl]ETHYL]-2,2-DIMETHYL-1,3-DIOXANE-4-ACETATE is 1001659-85-3.
Molecular formula C40H47FN2O5, molecular weight 654.8.
It is also registered under: (4R-CIS)-1,1-DIMETHYLETHYL-6-[2-[2-(4-FLUOROPHENYL)-5-(1-METHYLETHYL)-3-PHENYL-4-[(PHENYLAMINO) CARBONYL]-1H-PYRROL-1-yl]ETHYL]-2,2-DIMETHYL-1,3-DIOXANE-4-ACETATE, (4R-顺式)-1,1-二甲基乙基-6-[2-[2-(4-氟苯基)-5-(1-甲基)-3-苯基-4-[(苯氨基)羰基]-1H-吡咯-1-基]乙基]-2,2-二甲基-1,3-二恶烷-4-乙酸酯.
Category: Organic Chemicals.
Independent reference data for (4R-CIS)-1,1-DIMETHYLETHYL-6-[2-[2-(4-FLUOROPHENYL)-5-(1-METHYLETHYL)-3-PHENYL-4-[(PHENYLAMINO) CARBONYL]-1H-PYRROL-1-yl]ETHYL]-2,2-DIMETHYL-1,3-DIOXANE-4-ACETATE (CAS 1001659-85-3), compiled from public chemistry databases.
| CAS Registry Number | 1001659-85-3 |
|---|---|
| PubChem CID | 10168503 |
| Molecular formula | C40H47FN2O5 |
| IUPAC name | tert-butyl 2-[(4R,6R)-6-[2-[2-(4-fluorophenyl)-3-phenyl-4-(phenylcarbamoyl)-5-propan-2-ylpyrrol-1-yl]ethyl]-2,2-dimethyl-1,3-dioxan-4-yl]acetate |
| UNII (FDA) | 0PTA8HGH1F |
| Molecular Weight | 654.8 |
|---|---|
| XLogP3 | 7.8 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 12 |
| Exact Mass | 654.34690077 |
| Monoisotopic Mass | 654.34690077 |
| Topological Polar Surface Area | 78.8 |
| Heavy Atom Count | 48 |
Atorvastatin Acetonide tert-Butyl Ester; 0PTA8HGH1F; RefChem:1077337; 700-258-0; 125971-95-1; MFCD04039904; UNII-0PTA8HGH1F; EC 700-258-0; 1001659-85-3; C40H47FN2O5; Atorvastatin EP Impurity I;<br>USP Atorvastatin Related Compound I; Atorvastatin EP Impurity I; SCHEMBL583215; orb1909586; DTXSID70436296; AKOS015900092
| GHS notification summary | 87.5% (7 / 8) |
|---|
| GHS notification summary | 87.5% (7 / 8) |
|---|---|
| Reported hazard statements | H302 (12.5%) |
This chemical does not meet GHS hazard criteria for 87.5% (7 of 8) of all reports.
H302 (12.5%): Harmful if swallowed [Warning Acute toxicity, oral]
(4R-CIS)-1,1-DIMETHYLETHYL-6-[2-[2-(4-FLUOROPHENYL)-5-(1-METHYLETHYL)-3-PHENYL-4-[(PHENYLAMINO) CARBONYL]-1H-PYRROL-1-yl]ETHYL]-2,2-DIMETHYL-1,3-DIOXANE-4-ACETATE · CAS 1001659-85-3 · C40H47FN2O5. UNII 0PTA8HGH1F.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: (4R-顺式)-1,1-二甲基乙基-6-[2-[2-(4-氟苯基)-5-(1-甲基)-3-苯基-4-[(苯氨基)羰基]-1H-吡咯-1-基]乙基]-2,2-二甲基-1,3-二恶烷-4-乙酸酯