Atosiban (CAS 90779-69-4) — formula C43H67N11O12S2, molecular weight 994.2; category organic chemicals.
| CAS Number | 90779-69-4 |
|---|---|
| Molecular Formula | C43H67N11O12S2 |
| Molecular Weight | 994.2 |
| LogP | -1.9 |
| Category | Organic Chemicals |
Atosiban is a carbon-based organic compound with CAS registry number 90779-69-4 and molecular formula C43H67N11O12S2 (molecular weight 994.2), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 90779-69-4
Its molecular formula C43H67N11O12S2 comprises 43 C, 67 H, 11 N, 12 O, 2 S atoms.
Also known as: Atosiban · 醋酸阿托西班
Category: organic chemicals
The CAS registry number of Atosiban is 90779-69-4.
Molecular formula C43H67N11O12S2, molecular weight 994.2.
It is also registered under: Atosiban, 醋酸阿托西班.
Category: Organic Chemicals.
Independent reference data for Atosiban (CAS 90779-69-4), compiled from public chemistry databases.
| CAS 号 | 90779-69-4 |
|---|---|
| PubChem CID | 5311010 |
| 分子式 | C43H67N11O12S2 |
| IUPAC 名称 | (2S)-N-[(2S)-5-amino-1-[(2-amino-2-oxoethyl)amino]-1-oxopentan-2-yl]-1-[(4R,7S,10S,13S,16R)-7-(2-amino-2-oxoethyl)-13-[(2S)-butan-2-yl]-16-[(4-ethoxyphenyl)methyl]-10-[(1R)-1-hydroxyethyl]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carbonyl]pyrrolidine-2-carboxamide |
| UNII（FDA） | 081D12SI0Z |
| Molecular Weight | 994.2 |
|---|---|
| XLogP3 | -1.9 |
| Hydrogen Bond Donor Count | 11 |
| Hydrogen Bond Acceptor Count | 15 |
| Rotatable Bond Count | 18 |
| Exact Mass | 993.44120896 |
| Monoisotopic Mass | 993.44120896 |
| Topological Polar Surface Area | 416 |
| Heavy Atom Count | 68 |
Atosiban; 90779-69-4; Tractocile; Antocin; Antocin II; tractocil; Rwj 22164; Antocile; Atosibanum; ORF 22164; Orf-22164; RWJ-22164; DTXSID8048991; CAP-476; CAP-581; 081D12SI0Z
| 已通报的危害声明 | H361 (100%) |
|---|
醋酸阿托西班 · CAS 90779-69-4 · C43H67N11O12S2. UNII 081D12SI0Z.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 醋酸阿托西班