Benzoic acid (2aS,2bR,3S,4S,6S,8aR,10S,11aS,11bR,13aR)-2a-acetoxy-6-[3(S)-(tert-butoxycarboxamido)-3-(3-fluoropyridin-2-yl)-2(R)-hydroxypropanoyloxy]-10-(dimethylaminomethyl)-4-hydroxy-7,11b,14,14-tetramethyl-2a,2b,3,4,5,6,8a,11a,11b,12,13,13a-dodecahydro (CAS 333754-36-2) — formula C46H60FN3O13, molecular weight 882.0; category organic chemicals.
| CAS Number | 333754-36-2 |
|---|---|
| Molecular Formula | C46H60FN3O13 |
| Molecular Weight | 882.0 |
| LogP | 3.3 |
| Category | Organic Chemicals |
Benzoic acid (2aS,2bR,3S,4S,6S,8aR,10S,11aS,11bR,13aR)-2a-acetoxy-6-[3(S)-(tert-butoxycarboxamido)-3-(3-fluoropyridin-2-yl)-2(R)-hydroxypropanoyloxy]-10-(dimethylaminomethyl)-4-hydroxy-7,11b,14,14-tetramethyl-2a,2b,3,4,5,6,8a,11a,11b,12,13,13a-dodecahydro is a carbon-based organic compound with CAS registry number 333754-36-2 and molecular formula C46H60FN3O13 (molecular weight 882.0), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 333754-36-2
Its molecular formula C46H60FN3O13 comprises 46 C, 60 H, 1 F, 3 N, 13 O atoms.
Also known as: Benzoic acid (2aS,2bR,3S,4S,6S,8aR,10S,11aS,11bR,13aR)-2a-acetoxy-6-[3(S)-(tert-butoxycarboxamido)-3-(3-fluoropyridin-2-yl)-2(R)-hydroxypropanoyloxy]-10-(dimethylaminomethyl)-4-hydroxy-7,11b,14,14-tetramethyl-2a,2b,3,4,5,6,8a,11a,11b,12,13,13a-dodecahydro · 替司他赛/tesetaxel
Category: organic chemicals
The CAS registry number of Benzoic acid (2aS,2bR,3S,4S,6S,8aR,10S,11aS,11bR,13aR)-2a-acetoxy-6-[3(S)-(tert-butoxycarboxamido)-3-(3-fluoropyridin-2-yl)-2(R)-hydroxypropanoyloxy]-10-(dimethylaminomethyl)-4-hydroxy-7,11b,14,14-tetramethyl-2a,2b,3,4,5,6,8a,11a,11b,12,13,13a-dodecahydro is 333754-36-2.
Molecular formula C46H60FN3O13, molecular weight 882.0.
It is also registered under: Benzoic acid (2aS,2bR,3S,4S,6S,8aR,10S,11aS,11bR,13aR)-2a-acetoxy-6-[3(S)-(tert-butoxycarboxamido)-3-(3-fluoropyridin-2-yl)-2(R)-hydroxypropanoyloxy]-10-(dimethylaminomethyl)-4-hydroxy-7,11b,14,14-tetramethyl-2a,2b,3,4,5,6,8a,11a,11b,12,13,13a-dodecahydro, 替司他赛/tesetaxel.
Category: Organic Chemicals.
Independent reference data for Benzoic acid (2aS,2bR,3S,4S,6S,8aR,10S,11aS,11bR,13aR)-2a-acetoxy-6-[3(S)-(tert-butoxycarboxamido)-3-(3-fluoropyridin-2-yl)-2(R)-hydroxypropanoyloxy]-10-(dimethylaminomethyl)-4-hydroxy-7,11b,14,14-tetramethyl-2a,2b,3,4,5,6,8a,11a,11b,12,13,13a-dodecahydro (CAS 333754-36-2), compiled from public chemistry databases.
| CAS 号 | 333754-36-2 |
|---|---|
| PubChem CID | 6918574 |
| 分子式 | C46H60FN3O13 |
| IUPAC 名称 | [(2R,4S,6S,7R,10R,13S,14R,15S,16S,18S)-13-acetyloxy-4-[(dimethylamino)methyl]-18-[(2R,3S)-3-(3-fluoro-2-pyridinyl)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]oxy-16-hydroxy-7,19,20,20-tetramethyl-3,5,11-trioxapentacyclo[14.3.1.02,6.07,14.010,13]icos-1(19)-en-15-yl] benzoate |
| UNII（FDA） | UG97LO5M8Y |
| Molecular Weight | 882.0 |
|---|---|
| XLogP3 | 3.3 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 16 |
| Rotatable Bond Count | 15 |
| Exact Mass | 881.41101714 |
| Monoisotopic Mass | 881.41101714 |
| Topological Polar Surface Area | 202 |
| Heavy Atom Count | 63 |
Tesetaxel; 333754-36-2; DJ-927; UG97LO5M8Y; DTXSID00870326; tesetaxelum; RefChem:188313; DTXCID201511476; Tesetaxel [INN]; UNII-UG97LO5M8Y; DJ 927;; DJ927; DJ 927; TESETAXEL [WHO-DD]; CHEMBL2107787; SCHEMBL12060837
替司他赛/tesetaxel · CAS 333754-36-2 · C46H60FN3O13. UNII UG97LO5M8Y.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 替司他赛/tesetaxel