12'-hydroxy-5'alpha-isobutyl-2'-isopropylergotaman-3',6',18-trione phosphate (CAS 6045-63-2) — formula C32H44N5O9P, molecular weight 673.7; category organic chemicals.
| CAS Number | 6045-63-2 |
|---|---|
| Molecular Formula | C32H44N5O9P |
| Molecular Weight | 673.7 |
| Category | Organic Chemicals |
12'-hydroxy-5'alpha-isobutyl-2'-isopropylergotaman-3',6',18-trione phosphate is a carbon-based organic compound with CAS registry number 6045-63-2 and molecular formula C32H44N5O9P (molecular weight 673.7), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 6045-63-2
Its molecular formula C32H44N5O9P comprises 32 C, 44 H, 5 N, 9 O, 1 P atoms.
Also known as: 12'-hydroxy-5'alpha-isobutyl-2'-isopropylergotaman-3',6',18-trione phosphate · 12'-羟基-5'ALPHA-异丁基-2'-异丙基麦角它曼-3',6',18-三酮磷酸酯
Category: organic chemicals
The CAS registry number of 12'-hydroxy-5'alpha-isobutyl-2'-isopropylergotaman-3',6',18-trione phosphate is 6045-63-2.
Molecular formula C32H44N5O9P, molecular weight 673.7.
It is also registered under: 12'-hydroxy-5'alpha-isobutyl-2'-isopropylergotaman-3',6',18-trione phosphate, 12'-羟基-5'ALPHA-异丁基-2'-异丙基麦角它曼-3',6',18-三酮磷酸酯.
Category: Organic Chemicals.
Independent reference data for 12'-hydroxy-5'alpha-isobutyl-2'-isopropylergotaman-3',6',18-trione phosphate (CAS 6045-63-2), compiled from public chemistry databases.
| CAS 号 | 6045-63-2 |
|---|---|
| PubChem CID | 6453983 |
| 分子式 | C32H44N5O9P |
| IUPAC 名称 | (6aR,9R)-N-[(1S,2S,4R,7R)-2-hydroxy-7-(2-methylpropyl)-5,8-dioxo-4-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;phosphoric acid |
| Molecular Weight | 673.7 |
|---|---|
| Hydrogen Bond Donor Count | 6 |
| Hydrogen Bond Acceptor Count | 10 |
| Rotatable Bond Count | 5 |
| Exact Mass | 673.28766500 |
| Monoisotopic Mass | 673.28766500 |
| Topological Polar Surface Area | 196 |
| Heavy Atom Count | 47 |
12'-Hydroxy-5'alpha-isobutyl-2'-isopropylergotaman-3',6',18-trionephosphate; DTXSID40209191; Phosphoric acid--12'-hydroxy-5'beta-(2-methylpropyl)-3',6',18-trioxo-2'-(propan-2-yl)ergotaman (1/1)
12'-羟基-5'ALPHA-异丁基-2'-异丙基麦角它曼-3',6',18-三酮磷酸酯 · CAS 6045-63-2 · C32H44N5O9P.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.