5'alpha-benzyl-12'-hydroxy-2'-isopropylergotaman-3',6',18-trione phosphate (CAS 6424-36-8) — formula C35H40N5O8P, molecular weight 689.7; category organic chemicals.
| CAS Number | 6424-36-8 |
|---|---|
| Molecular Formula | C35H40N5O8P |
| Molecular Weight | 689.7 |
| LogP | -0.4 |
| Category | Organic Chemicals |
5'alpha-benzyl-12'-hydroxy-2'-isopropylergotaman-3',6',18-trione phosphate is a carbon-based organic compound with CAS registry number 6424-36-8 and molecular formula C35H40N5O8P (molecular weight 689.7), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 6424-36-8
Its molecular formula C35H40N5O8P comprises 35 C, 40 H, 5 N, 8 O, 1 P atoms.
Also known as: 5'alpha-benzyl-12'-hydroxy-2'-isopropylergotaman-3',6',18-trione phosphate · 5'α-苄基-12'-羟基-2'-异丙麦角-3',6',18-磷酸三酮
Category: organic chemicals
The CAS registry number of 5'alpha-benzyl-12'-hydroxy-2'-isopropylergotaman-3',6',18-trione phosphate is 6424-36-8.
Molecular formula C35H40N5O8P, molecular weight 689.7.
It is also registered under: 5'alpha-benzyl-12'-hydroxy-2'-isopropylergotaman-3',6',18-trione phosphate, 5'α-苄基-12'-羟基-2'-异丙麦角-3',6',18-磷酸三酮.
Category: Organic Chemicals.
Independent reference data for 5'alpha-benzyl-12'-hydroxy-2'-isopropylergotaman-3',6',18-trione phosphate (CAS 6424-36-8), compiled from public chemistry databases.
| CAS 号 | 6424-36-8 |
|---|---|
| PubChem CID | 6454830 |
| 分子式 | C35H40N5O8P |
| IUPAC 名称 | [(1S,2R,4R,7S)-4-[[(6aR,9R)-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carbonyl]amino]-7-benzyl-5,8-dioxo-4-propan-2-yl-3-oxa-6,9-diazatricyclo[7.3.0.02,6]dodecan-2-yl] dihydrogen phosphate |
| Molecular Weight | 689.7 |
|---|---|
| XLogP3 | -0.4 |
| Hydrogen Bond Donor Count | 4 |
| Hydrogen Bond Acceptor Count | 9 |
| Rotatable Bond Count | 7 |
| Exact Mass | 689.26145025 |
| Monoisotopic Mass | 689.26145025 |
| Topological Polar Surface Area | 165 |
| Heavy Atom Count | 49 |
6424-36-8; 5'alpha-Benzyl-12'-hydroxy-2'-isopropylergotaman-3',6',18-trione phosphate; DTXSID70214450; RefChem:100877; DTXCID70136941; EINECS 229-182-1; 5'alpha-Benzyl-3',6',18-trioxo-12'-(phosphonooxy)-2'-(propan-2-yl)ergotaman
| 已通报的危害声明 | H301 (100%), H311 (100%), H331 (100%) |
|---|
5'α-苄基-12'-羟基-2'-异丙麦角-3',6',18-磷酸三酮 · CAS 6424-36-8 · C35H40N5O8P.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.