[(7R)-5-chloro-3-[(1E,3E,5S)-3,5-dimethylhepta-1,3-dienyl]-7-methyl-6,8-dioxo-2H-isoquinolin-7-yl] acetate (CAS 34695-81-3) — formula C21H24ClNO4, molecular weight 389.9; category organic chemicals.
| CAS Number | 34695-81-3 |
|---|---|
| Molecular Formula | C21H24ClNO4 |
| Molecular Weight | 389.9 |
| LogP | 4.6 |
| Category | Organic Chemicals |
[(7R)-5-chloro-3-[(1E,3E,5S)-3,5-dimethylhepta-1,3-dienyl]-7-methyl-6,8-dioxo-2H-isoquinolin-7-yl] acetate is a carbon-based organic compound with CAS registry number 34695-81-3 and molecular formula C21H24ClNO4 (molecular weight 389.9), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 34695-81-3
Its molecular formula C21H24ClNO4 comprises 21 C, 24 H, 1 Cl, 1 N, 4 O atoms.
Also known as: [(7R)-5-chloro-3-[(1E,3E,5S)-3,5-dimethylhepta-1,3-dienyl]-7-methyl-6,8-dioxo-2H-isoquinolin-7-yl] acetate · [(7R)-5-氯-3-[(1E,3E,5S)-3,5-二甲基庚-1,3-二烯基]-7-甲基-6,8-二氧代-2H-异喹啉-7-基]乙酸酯
Category: organic chemicals
The CAS registry number of [(7R)-5-chloro-3-[(1E,3E,5S)-3,5-dimethylhepta-1,3-dienyl]-7-methyl-6,8-dioxo-2H-isoquinolin-7-yl] acetate is 34695-81-3.
Molecular formula C21H24ClNO4, molecular weight 389.9.
It is also registered under: [(7R)-5-chloro-3-[(1E,3E,5S)-3,5-dimethylhepta-1,3-dienyl]-7-methyl-6,8-dioxo-2H-isoquinolin-7-yl] acetate, [(7R)-5-氯-3-[(1E,3E,5S)-3,5-二甲基庚-1,3-二烯基]-7-甲基-6,8-二氧代-2H-异喹啉-7-基]乙酸酯.
Category: Organic Chemicals.
Independent reference data for [(7R)-5-chloro-3-[(1E,3E,5S)-3,5-dimethylhepta-1,3-dienyl]-7-methyl-6,8-dioxo-2H-isoquinolin-7-yl] acetate (CAS 34695-81-3), compiled from public chemistry databases.
| CAS 号 | 34695-81-3 |
|---|---|
| PubChem CID | 136268314 |
| 分子式 | C21H24ClNO4 |
| IUPAC 名称 | [5-chloro-3-[(1E,3E)-3,5-dimethylhepta-1,3-dienyl]-6-hydroxy-7-methyl-8-oxoisoquinolin-7-yl] acetate |
| UNII（FDA） | NS00097200 |
| Molecular Weight | 389.9 |
|---|---|
| XLogP3 | 4.6 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 6 |
| Exact Mass | 389.1393859 |
| Monoisotopic Mass | 389.1393859 |
| Topological Polar Surface Area | 76.5 |
| Heavy Atom Count | 27 |
34695-81-3; Sclerotioramine?; Compound NP-015956; orb611951; orb3171688; 5-Chloro-3-(3,5-dimethylhepta-1,3-dien-1-yl)-7-methyl-6,8-dioxo-2,6,7,8-tetrahydroisoquinolin-7-yl acetate; AKOS040738692; Sclerotioramine, >=95% (LC/MS-UV); NCGC00380768-01; NS00097200; T129605; [5-chloro-3-[(1E,3E)-3,5-dimethylhepta-1,3-dienyl]-7-methyl-6,8-dioxo-2H-isoquinolin-7-yl] acetate
[(7R)-5-氯-3-[(1E,3E,5S)-3,5-二甲基庚-1,3-二烯基]-7-甲基-6,8-二氧代-2H-异喹啉-7-基]乙酸酯 · CAS 34695-81-3 · C21H24ClNO4. UNII NS00097200.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: [(7R)-5-氯-3-[(1E,3E,5S)-3,5-二甲基庚-1,3-二烯基]-7-甲基-6,8-二氧代-2H-异喹啉-7-基]乙酸酯