12'-hydroxy-2',5'alpha-diisopropylergotaman-3',6',18-trione monomethanesulphonate (CAS 2706-67-4) — formula C32H43N5O8S, molecular weight 657.8; category organic chemicals.
| CAS Number | 2706-67-4 |
|---|---|
| Molecular Formula | C32H43N5O8S |
| Molecular Weight | 657.8 |
| Category | Organic Chemicals |
12'-hydroxy-2',5'alpha-diisopropylergotaman-3',6',18-trione monomethanesulphonate is a carbon-based organic compound with CAS registry number 2706-67-4 and molecular formula C32H43N5O8S (molecular weight 657.8), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 2706-67-4
Its molecular formula C32H43N5O8S comprises 32 C, 43 H, 5 N, 8 O, 1 S atoms.
Also known as: 12'-hydroxy-2',5'alpha-diisopropylergotaman-3',6',18-trione monomethanesulphonate · 12'-羟基-2',5'α-二异丙基麦角-3',6',18-三酮单甲磺酸酯
Category: organic chemicals
The CAS registry number of 12'-hydroxy-2',5'alpha-diisopropylergotaman-3',6',18-trione monomethanesulphonate is 2706-67-4.
Molecular formula C32H43N5O8S, molecular weight 657.8.
It is also registered under: 12'-hydroxy-2',5'alpha-diisopropylergotaman-3',6',18-trione monomethanesulphonate, 12'-羟基-2',5'α-二异丙基麦角-3',6',18-三酮单甲磺酸酯.
Category: Organic Chemicals.
Independent reference data for 12'-hydroxy-2',5'alpha-diisopropylergotaman-3',6',18-trione monomethanesulphonate (CAS 2706-67-4), compiled from public chemistry databases.
| CAS 号 | 2706-67-4 |
|---|---|
| PubChem CID | 197756 |
| 分子式 | C32H43N5O8S |
| IUPAC 名称 | (6aR,9R)-N-[(1S,2S,4R,7R)-2-hydroxy-5,8-dioxo-4,7-di(propan-2-yl)-3-oxa-6,9-diazatricyclo[7.3.0.02,6]dodecan-4-yl]-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide;methanesulfonic acid |
| UNII（FDA） | 11AJD95BKH |
| Molecular Weight | 657.8 |
|---|---|
| Hydrogen Bond Donor Count | 4 |
| Hydrogen Bond Acceptor Count | 9 |
| Rotatable Bond Count | 4 |
| Exact Mass | 657.28323452 |
| Monoisotopic Mass | 657.28323452 |
| Topological Polar Surface Area | 181 |
| Heavy Atom Count | 46 |
Ergocornine mesylate; Ergocornine methanesulfonate; 11AJD95BKH; 2706-67-4; Ergocornine, monomethanesulfonate (salt); Ergocornine methanesulfonate (salt); UNII-11AJD95BKH; Ergocornine methanesulphonate; EINECS 218-625-4; EINECS 220-296-7; ERGOCORNINE, METHANESULFONATE; 12'-Hydroxy-2',5'alpha-diisopropylergotaman-3',6',18-trione methanesulphonate; 12'-Hydroxy-2',5'alpha-diisopropylergotaman-3',6',18-trione monomethanesulphonate; 2207-69-4; Ergotaman-3',6',18-trione, 12'-hydroxy-2',5'-bis(1-methylethyl)-, (5'-alpha)-, methanesulfonate (salt); Ergotaman-3',6',18-trione, 12'-hydroxy-2',5'-bis(1-methylethyl)-, (5'.alpha.)-, monomethanesulfonate (salt)
12'-羟基-2',5'α-二异丙基麦角-3',6',18-三酮单甲磺酸酯 · CAS 2706-67-4 · C32H43N5O8S. UNII 11AJD95BKH.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.