CAS Number93413-62-8
Synonymsdesvenlafaxine; O-Desmethylvenlafaxine; L6TJ AYR DQ&1N1&1 AQ; 4-[2-(Dimethylamino)-1-(1-hydroxycyclohexyl)ethyl]phenol; 4-(2-(Dimethylamino)-1-(1-hydroxycyclohexyl)ethyl)phenol
Molecular FormulaC16H25NO2
Molecular Weight263.38
Density1.1±0.1 g/cm3
Boiling Point403.8±25.0 °C at 760 mmHg
Melting Point208-213ºC
Appearanceliquid
Symbol
Signal WordWarning
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 93413-62-8 |
| Catalog No. | 2A-9060134 |
| Chinese Name | O-去甲文拉法辛 |
| Synonyms | desvenlafaxine; O-Desmethylvenlafaxine; L6TJ AYR DQ&1N1&1 AQ; 4-[2-(Dimethylamino)-1-(1-hydroxycyclohexyl)ethyl]phenol; 4-(2-(Dimethylamino)-1-(1-hydroxycyclohexyl)ethyl)phenol |
| Molecular Formula | C16H25NO2 |
| Molecular Weight | 263.38 |
| Density | 1.1±0.1 g/cm3 |
| Boiling Point | 403.8±25.0 °C at 760 mmHg |
| Melting Point | 208-213ºC |
| Appearance | liquid |
| Storage Condition | -20°C Freezer |
| Application | Desvenlafaxine is a serotonin (5-HT) and norepinephrine (NE) reuptake inhibitor with Ki of 40.2 nM and 558.4 nM. |
| HTC | 2922509090 |
| PubChem ID | 329828977 |
| MDL Number | MFCD00871934 |
| SMILES | OC1=CC=C(C(CN(C)C)C2(O)CCCCC2)C=C1 |
| InChI | 1S/C16H25NO2/c1-17(2)12-15(13-6-8-14(18)9-7-13)16(19)10-4-3-5-11-16/h6-9,15,18-19H,3-5,10-12H2,1-2H3 |
| InChI Key | KYYIDSXMWOZKMP-UHFFFAOYSA-N |
| NACRES Code | NA.24 |
| UNSPSC | 41116107 |
| Hazard Symbols | transportation |
| MSDS | msds/60134_1_93413_62_8.pdf |
| Bioactivity | Desvenlafaxine is a serotonin (5-HT) and norepinephrine (NE) reuptake inhibitor with Ki of 40.2 nM and 558.4 nM, respectively. Target: SSRIsDesvenlafaxine is a serotonin-norepinephrine reuptake inhibitor and is the active metabolite of the antidepressant venlafaxine. Similar to venlafaxine, desvenlafaxine inhibits the neuronal uptake of serotonin and norepinephrine. Desvenlafaxine shows weak binding affinity (62% inhibition at 100 μM) at the human dopamine (DA) transporter. Desvenlafaxine inhibits [3H]5-HT or [3H]NE uptake for the hSERT or hNET with IC50 of 47.3 and 531.3 nM, respectively. Desvenlafaxine rapidly penetrates the male rat brain and hypothalamus. Desvenlafaxine significantly increases extracellular NE levels compared with baseline in the male rat hypothalamus but had no effect on DA levels using microdialysis [1]. Desvenlafaxine has the potential to inhibit CYP2D6, which could result in increased concentrations of drugs metabolized through this pathway. Induction of CYP3A4 is also possible with desvenlafaxine, which could impact the metabolism of drugs metabolized via this enzyme. Desvenlafaxine exhibits a linear and dose-proportional pharmacokinetic single-dose profile in a dose range from 100 to 600 mg/day. The absolute bioavailability of the oral formulation is 80.5% [2]. Related Catalog Signaling Pathways >> Neuronal Signaling >> Serotonin Transporter Research Areas >> Neurological Disease References [1]. Deecher, D.C., et al., Desvenlafaxine succinate: A new serotonin and norepinephrine reuptake inhibitor. J Pharmacol Exp Ther, 2006. 318(2): p. 657-65. [2]. Sopko, M.A., Jr., M.J. Ehret, and M. Grgas, Desvenlafaxine: another "me too" drug? Ann Pharmacother, 2008. 42(10): p. 1439-46. Chemical & Physical Properties Density 1.1±0.1 g/cm3 Boiling Point 403.8±25.0 °C at 760 mmHg Melting Point 208-213ºC Molecular Formula C16H25NO2 Molecular Weight 263.375 Flash Point 193.2±21.8 °C Exact Mass 263.188538 PSA 43.70000 LogP 2.26 Vapour Pressure 0.0±1.0 mmHg at 25°C Index of Refraction 1.573 InChIKey KYYIDSXMWOZKMP-UHFFFAOYSA-N SMILES CN(C)CC(c1ccc(O)cc1)C1(O)CCCCC1 Storage condition -20°C Freezer |
| Use of | Properties Articles27 Name O-desmethylvenlafaxine Synonym More Synonyms O-Desmethylvenlafaxine Biological Activity Related Catalog Signaling Pathways >> Neuronal Signaling >> Serotonin Transporter Research Areas >> Neurological Disease References [1]. Deecher, D.C., et al., Desvenlafaxine succinate: A new serotonin and norepinephrine reuptake inhibitor. J Pharmacol Exp Ther, 2006. 318(2): p. 657-65. [2]. Sopko, M.A., Jr., M.J. Ehret, and M. Grgas, Desvenlafaxine: another "me too" drug? Ann Pharmacother, 2008. 42(10): p. 1439-46. Chemical & Physical Properties Molecular Formula C16H25NO2 Exact Mass 263.188538 PSA 43.70000 Index of Refraction 1.573 InChIKey KYYIDSXMWOZKMP-UHFFFAOYSA-N |
| Tax Rebate | 13.0% |
| Supervision | A. Customs clearance form for inbound goods B. Customs clearance form for outbound goods |
| Inspection | R. Hygiene supervision and inspection of imported food S. Hygiene supervision and inspection of exported food |
| Transport Info | Shipping Name: UN |
| MSDS Transport Info | Module 14. Shipping information 14.1 UN dangerous goods number European Land Transport Danger Regulations: 1230 International Maritime Transport Danger Regulations: 1230 International Air Transport Danger Regulations: 1230 14.2 United Nations shipping name European Land Transport Dangerous Regulations: METHANOL, solution IMDG Code: METHANOL, solution IFRS: Methanol, solution 14.3 Transport hazard categories European land transport risk code: 3 (6.1) International sea transport risk code: 3 (6.1) International air transport risk code: 3 (6.1) 14.4 Package group European Dangerous Regulations for land transport: II International Dangerous Regulations for sea transport: II International Dangerous Regulations for air transport: II 14.5 Environmental hazards European Land Transport Danger Regulations: No International Maritime Danger Regulations International Air Transport Danger Regulations: No Marine pollutants (yes/no): No 14.6 Special reminder to users No data available |
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