9,10α-dihydro-12'-hydroxy-5'α-isobutyl-2'-isopropylergotaman-3',6',18-trione monomethanesulphonate (CAS 14271-05-7) — formula C33H47N5O8S, molecular weight 673.8; category organic chemicals.
| CAS Number | 14271-05-7 |
|---|---|
| Molecular Formula | C33H47N5O8S |
| Molecular Weight | 673.8 |
| Category | Organic Chemicals |
9,10α-dihydro-12'-hydroxy-5'α-isobutyl-2'-isopropylergotaman-3',6',18-trione monomethanesulphonate is a carbon-based organic compound with CAS registry number 14271-05-7 and molecular formula C33H47N5O8S (molecular weight 673.8), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 14271-05-7
Its molecular formula C33H47N5O8S comprises 33 C, 47 H, 5 N, 8 O, 1 S atoms.
Also known as: 9,10α-dihydro-12'-hydroxy-5'α-isobutyl-2'-isopropylergotaman-3',6',18-trione monomethanesulphonate · 二氢-α-麦角隐亭甲磺酸盐
Category: organic chemicals
The CAS registry number of 9,10α-dihydro-12'-hydroxy-5'α-isobutyl-2'-isopropylergotaman-3',6',18-trione monomethanesulphonate is 14271-05-7.
Molecular formula C33H47N5O8S, molecular weight 673.8.
It is also registered under: 9,10α-dihydro-12'-hydroxy-5'α-isobutyl-2'-isopropylergotaman-3',6',18-trione monomethanesulphonate, 二氢-α-麦角隐亭甲磺酸盐.
Category: Organic Chemicals.
Independent reference data for 9,10α-dihydro-12'-hydroxy-5'α-isobutyl-2'-isopropylergotaman-3',6',18-trione monomethanesulphonate (CAS 14271-05-7), compiled from public chemistry databases.
| CAS 号 | 14271-05-7 |
|---|---|
| PubChem CID | 159729 |
| 分子式 | C33H47N5O8S |
| IUPAC 名称 | (6aR,9R,10aR)-N-[(1S,2S,4R,7S)-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,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide;methanesulfonic acid |
| UNII（FDA） | Z4I7BU58DN |
| Molecular Weight | 673.8 |
|---|---|
| Hydrogen Bond Donor Count | 4 |
| Hydrogen Bond Acceptor Count | 9 |
| Rotatable Bond Count | 5 |
| Exact Mass | 673.31453465 |
| Monoisotopic Mass | 673.31453465 |
| Topological Polar Surface Area | 181 |
| Heavy Atom Count | 47 |
Dihydro-alpha-ergocryptine mesylate; 14271-05-7; CCRIS 6730; EINECS 238-163-7; Z4I7BU58DN; 9,10alpha-Dihydro-12'-hydroxy-5'alpha-isobutyl-2'-isopropylergotaman-3',6',18-trione monomethanesulphonate; Dihydroergocryptine Mesylate; CHEBI:31487; Dihydro-.alpha.-ergocryptine mesilate; Dihydro-.alpha.-ergocryptine mesylate; DIHYDROERGOCRYPTINE ALFA-MESILATE; 9,10-dihydro-alpha-ergocryptine mesylate; dihydro-alpha-ergocryptine methanesulfonate; DIHYDROERGOCRYPTINE METHANESULFONATE; 9,10-dihydro-alpha-ergocryptine methanesulfonate; DIHYDROERGOCRYPTINE ALFA-MESILATE [WHO-DD]
| 已通报的危害声明 | H302 (66.7%), H312, H332 (33.3%), H315 (33.3%), H319 (33.3%), H335 (33.3%) |
|---|
二氢-α-麦角隐亭甲磺酸盐 · CAS 14271-05-7 · C33H47N5O8S. UNII Z4I7BU58DN.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 二氢-α-麦角隐亭甲磺酸盐