Cas no 89651-00-3 (Voxergolide)
Voxergolide structure
Product Name:Voxergolide
CAS No:89651-00-3
MF:C16H20N2OS
MW:288.407802581787
CID:1943477
PubChem ID:3086301
Update Time:2025-04-21
Voxergolide Chemical and Physical Properties
Names and Identifiers
-
- Voxergolide
- Voxergolide [INN]
- (+-)-(6aR,9R,10aR)-4,6a,7,8,9,10a-Hexahydro-7-methyl-9-((methylthio)methyl)-6H-indolo(3,4-gh)(1,4)benzoxazine
- UNII-PP012U645Q
- (6aR,9R,10aR)-7-methyl-9-[(methylsulfanyl)methyl]-4,6a,7,8,9,10a-hexahydro-6H-indolo[3,4-gh][1,4]benzoxazine
- voxergolidum
- ru41656
- DTXSID90869027
- PP012U645Q
- NS00121800
- SCHEMBL195697
- Q27286682
- 89651-00-3
- voxergolida
-
- Inchi： 1S/C16H20N2OS/c1-18-8-11(9-20-2)19-16-12-4-3-5-13-15(12)10(7-17-13)6-14(16)18/h3-5,7,11,14,16-17H,6,8-9H2,1-2H3/t11-,14-,16-/m1/s1
- InChI Key： GYUHVILBXXBZDS-DJSGYFEHSA-N
- SMILES： S(C)C[C@H]1CN(C)[C@@H]2CC3=CNC4=CC=CC(=C34)[C@H]2O1
Computed Properties
- Exact Mass: 288.13
- Monoisotopic Mass: 288.13
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 20
- Rotatable Bond Count: 2
- Complexity: 366
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 3
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 53.6A^2
- XLogP3: 2.4
Experimental Properties
- Density: 1.219
- Boiling Point: 483.8°C at 760 mmHg
- Flash Point: 246.4°C
- Refractive Index: 1.639
Voxergolide Related Literature
-
Joo Chuan Yeo,Kenry Lab Chip, 2016,16, 4082-4090
-
2. Fatty acid eutectic mixtures and derivatives from non-edible animal fat as phase change materials?Pau Gallart-Sirvent,Marc Martín,Gemma Villorbina,Mercè Balcells,Aran Solé,Luisa F. Cabeza,Ramon Canela-Garayoa RSC Adv., 2017,7, 24133-24139
-
M. Zeiger,N. J?ckel,P. Strubel,L. Borchardt,R. Reinhold,W. Nickel,J. Eckert,V. Presser,S. Kaskel J. Mater. Chem. A, 2015,3, 17983-17990
-
Hongxia Li,Aikifa Raza,Qiaoyu Ge,Jin-You Lu,TieJun Zhang Soft Matter, 2020,16, 6841-6849
-
Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
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