Tacrolimus Monohydrate (CAS 109581-93-3) — formula C44H71NO13, molecular weight 822.0; category organic chemicals.
| CAS Number | 109581-93-3 |
|---|---|
| Molecular Formula | C44H71NO13 |
| Molecular Weight | 822.0 |
| Category | Organic Chemicals |
Tacrolimus Monohydrate is a carbon-based organic compound with CAS registry number 109581-93-3 and molecular formula C44H71NO13 (molecular weight 822.0), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 109581-93-3
Its molecular formula C44H71NO13 comprises 44 C, 71 H, 1 N, 13 O atoms.
Also known as: Tacrolimus Monohydrate · 他克莫司一水合物
Category: organic chemicals
The CAS registry number of Tacrolimus Monohydrate is 109581-93-3.
Molecular formula C44H71NO13, molecular weight 822.0.
It is also registered under: Tacrolimus Monohydrate, 他克莫司一水合物.
Category: Organic Chemicals.
Independent reference data for Tacrolimus Monohydrate (CAS 109581-93-3), compiled from public chemistry databases.
| CAS Registry Number | 109581-93-3 |
|---|---|
| PubChem CID | 60348 |
| Molecular formula | C44H71NO13 |
| IUPAC name | (1R,9S,12S,13R,14S,17R,21S,23S,24R,25S,27R)-1,14-dihydroxy-12-[1-[(3R,4R)-4-hydroxy-3-methoxycyclohexyl]prop-1-en-2-yl]-23,25-dimethoxy-13,19,21,27-tetramethyl-17-prop-2-enyl-11,28-dioxa-4-azatricyclo[22.3.1.04,9]octacos-18-ene-2,3,10,16-tetrone;hydrate |
| Molecular Weight | 822.0 |
|---|---|
| Hydrogen Bond Donor Count | 4 |
| Hydrogen Bond Acceptor Count | 13 |
| Rotatable Bond Count | 7 |
| Exact Mass | 821.49254132 |
| Monoisotopic Mass | 821.49254132 |
| Topological Polar Surface Area | 179 |
| Heavy Atom Count | 58 |
| Reported hazard statements | H301 (100%) |
|---|
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P264, P270, P301+P316, P321, P330, P405, and P501 (click each P-code to see the statement)
Tacrolimus Monohydrate · CAS 109581-93-3 · C44H71NO13.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 他克莫司一水合物