3aalpha,4alpha,5,6,7alpha,7aalpha-Hexahydro-2-[4- [4-(2-pyrimidinyl)-1-piperazinyl]butyl]-4,7-methano-1H-isoindole-1,3(2H)-dione dihydrogen citrate (CAS 112457-95-1) — formula C27H37N5O9, molecular weight 575.6; category organic chemicals.
| CAS Number | 112457-95-1 |
|---|---|
| Molecular Formula | C27H37N5O9 |
| Molecular Weight | 575.6 |
| Category | Organic Chemicals |
3aalpha,4alpha,5,6,7alpha,7aalpha-Hexahydro-2-[4- [4-(2-pyrimidinyl)-1-piperazinyl]butyl]-4,7-methano-1H-isoindole-1,3(2H)-dione dihydrogen citrate is a carbon-based organic compound with CAS registry number 112457-95-1 and molecular formula C27H37N5O9 (molecular weight 575.6), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 112457-95-1
Its molecular formula C27H37N5O9 comprises 27 C, 37 H, 5 N, 9 O atoms.
Also known as: 3aalpha,4alpha,5,6,7alpha,7aalpha-Hexahydro-2-[4- [4-(2-pyrimidinyl)-1-piperazinyl]butyl]-4,7-methano-1H-isoindole-1,3(2H)-dione dihydrogen citrate · 枸橼酸坦度螺酮
Category: organic chemicals
The CAS registry number of 3aalpha,4alpha,5,6,7alpha,7aalpha-Hexahydro-2-[4- [4-(2-pyrimidinyl)-1-piperazinyl]butyl]-4,7-methano-1H-isoindole-1,3(2H)-dione dihydrogen citrate is 112457-95-1.
Molecular formula C27H37N5O9, molecular weight 575.6.
It is also registered under: 3aalpha,4alpha,5,6,7alpha,7aalpha-Hexahydro-2-[4- [4-(2-pyrimidinyl)-1-piperazinyl]butyl]-4,7-methano-1H-isoindole-1,3(2H)-dione dihydrogen citrate, 枸橼酸坦度螺酮.
Category: Organic Chemicals.
Independent reference data for 3aalpha,4alpha,5,6,7alpha,7aalpha-Hexahydro-2-[4- [4-(2-pyrimidinyl)-1-piperazinyl]butyl]-4,7-methano-1H-isoindole-1,3(2H)-dione dihydrogen citrate (CAS 112457-95-1), compiled from public chemistry databases.
| CAS 号 | 112457-95-1 |
|---|---|
| PubChem CID | 60558 |
| 分子式 | C27H37N5O9 |
| IUPAC 名称 | 2-hydroxypropane-1,2,3-tricarboxylic acid;(1R,2S,6R,7S)-4-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-4-azatricyclo[5.2.1.02,6]decane-3,5-dione |
| UNII（FDA） | 0R8E9BWM4J |
| Molecular Weight | 575.6 |
|---|---|
| Hydrogen Bond Donor Count | 4 |
| Hydrogen Bond Acceptor Count | 13 |
| Rotatable Bond Count | 11 |
| Exact Mass | 575.25912777 |
| Monoisotopic Mass | 575.25912777 |
| Topological Polar Surface Area | 202 |
| Heavy Atom Count | 41 |
tandospirone citrate; 112457-95-1; Sediel; SM-3997 citrate; 0R8E9BWM4J; CHEBI:32182; RefChem:1069572; SM 3997; Tandospirone citrate [USAN]; MFCD01939743; (1R*,2S*,3R*,4S*)-N-(4-(4-(2-Pyrimidinyl)-1-piperazinyl)butyl)-2,3-norbornanedicarboximide citrate (1:1); Tandopsirone citrate; UNII-0R8E9BWM4J; metanopirone citrate; Sediel (TN); SCHEMBL121034
枸橼酸坦度螺酮 · CAS 112457-95-1 · C27H37N5O9. UNII 0R8E9BWM4J.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 枸橼酸坦度螺酮