[2R-(2a,3b,11bb)]-1,3,4,6,7,11b-Hexahydro-9,10-dimethoxy-3-(2-methylpropyl)-2H-benzo[a]quinolizin-2-ol (CAS 85081-18-1) — formula C19H29NO3, molecular weight 319.4; category organic chemicals.
| CAS Number | 85081-18-1 |
|---|---|
| Molecular Formula | C19H29NO3 |
| Molecular Weight | 319.4 |
| LogP | 3.2 |
| Category | Organic Chemicals |
[2R-(2a,3b,11bb)]-1,3,4,6,7,11b-Hexahydro-9,10-dimethoxy-3-(2-methylpropyl)-2H-benzo[a]quinolizin-2-ol is a carbon-based organic compound with CAS registry number 85081-18-1 and molecular formula C19H29NO3 (molecular weight 319.4), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 85081-18-1
Its molecular formula C19H29NO3 comprises 19 C, 29 H, 1 N, 3 O atoms.
Also known as: [2R-(2a,3b,11bb)]-1,3,4,6,7,11b-Hexahydro-9,10-dimethoxy-3-(2-methylpropyl)-2H-benzo[a]quinolizin-2-ol · 2R-(2a,3b,11bb)]-1,3,4,6,7,11b-六氢-9,10-二甲氧基-3-异丁基-2H-苯并[a]喹嗪-2-醇
Category: organic chemicals
The CAS registry number of [2R-(2a,3b,11bb)]-1,3,4,6,7,11b-Hexahydro-9,10-dimethoxy-3-(2-methylpropyl)-2H-benzo[a]quinolizin-2-ol is 85081-18-1.
Molecular formula C19H29NO3, molecular weight 319.4.
It is also registered under: [2R-(2a,3b,11bb)]-1,3,4,6,7,11b-Hexahydro-9,10-dimethoxy-3-(2-methylpropyl)-2H-benzo[a]quinolizin-2-ol, 2R-(2a,3b,11bb)]-1,3,4,6,7,11b-六氢-9,10-二甲氧基-3-异丁基-2H-苯并[a]喹嗪-2-醇.
Category: Organic Chemicals.
Independent reference data for [2R-(2a,3b,11bb)]-1,3,4,6,7,11b-Hexahydro-9,10-dimethoxy-3-(2-methylpropyl)-2H-benzo[a]quinolizin-2-ol (CAS 85081-18-1), compiled from public chemistry databases.
| CAS 号 | 85081-18-1 |
|---|---|
| PubChem CID | 14580381 |
| 分子式 | C19H29NO3 |
| IUPAC 名称 | (2R,3R,11bR)-9,10-dimethoxy-3-(2-methylpropyl)-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-ol |
| UNII（FDA） | IFRYDMLSGE |
| Molecular Weight | 319.4 |
|---|---|
| XLogP3 | 3.2 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 4 |
| Exact Mass | 319.21474379 |
| Monoisotopic Mass | 319.21474379 |
| Topological Polar Surface Area | 41.9 |
| Heavy Atom Count | 23 |
alpha-dihydrotetrabenazine; 171598-74-6; alpha-Htbn; OHZ3DQX6Q3; Tetrabenazine metabolite M6; Trans (2,3)-Dihydrotetrabenazine; .ALPHA.-HTBN; SD-946; 2H-Benzo(a)quinolizin-2-ol, 1,3,4,6,7,11b-hexahydro-9,10-dimethoxy-3-(2-methylpropyl)-, (2R,3R,11bR)-rel-; Rel-(2R,3R,11bR)-1,3,4,6,7,11b-hexahydro-9,10-dimethoxy-3-(2-methylpropyl)-2H-benzo(a)quinolizin-2-ol; RefChem:555692; (+-)-ALPHA-HTBN; (+-)-.ALPHA.-HTBN; .ALPHA.-DIHYDROTETRABENAZINE; 85081-18-1; NBI-98782
| GHS 通报统计 | 100% (2 / 2) |
|---|
| GHS 通报统计 | 100% (2 / 2) |
|---|
2R-(2a,3b,11bb)]-1,3,4,6,7,11b-六氢-9,10-二甲氧基-3-异丁基-2H-苯并[a]喹嗪-2-醇 · CAS 85081-18-1 · C19H29NO3. UNII IFRYDMLSGE.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 2R-(2a,3b,11bb)]-1,3,4,6,7,11b-六氢-9,10-二甲氧基-3-异丁基-2H-苯并[a]喹嗪-2-醇