Cas no 112494-56-1 (Benzo[d]-1,3-dioxolo[4,5-g]pyrido[4,3,2-jk][2]benzazepine,5,6,7,7a-tetrahydro-11-methoxy-7-methyl-, (-)- (9CI))
![Benzo[d]-1,3-dioxolo[4,5-g]pyrido[4,3,2-jk][2]benzazepine,5,6,7,7a-tetrahydro-11-methoxy-7-methyl-, (-)- (9CI) structure](https://ossimg.kuujia.com/scimg/112500/112494-56-1x500.png)
112494-56-1 structure
Product Name:Benzo[d]-1,3-dioxolo[4,5-g]pyrido[4,3,2-jk][2]benzazepine,5,6,7,7a-tetrahydro-11-methoxy-7-methyl-, (-)- (9CI)
CAS No:112494-56-1
MF:C19H18N2O3
MW:322.357824802399
CID:214400
PubChem ID:183515
Update Time:2025-04-19
Benzo[d]-1,3-dioxolo[4,5-g]pyrido[4,3,2-jk][2]benzazepine,5,6,7,7a-tetrahydro-11-methoxy-7-methyl-, (-)- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- Benzo[d]-1,3-dioxolo[4,5-g]pyrido[4,3,2-jk][2]benzazepine,5,6,7,7a-tetrahydro-11-methoxy-7-methyl-, (-)- (9CI)
- Spiguetine
- DTXSID60920811
- 11-Methoxy-7-methyl-5,6,7,7a-tetrahydro-2H-[1,3]dioxolo[6,7]isoquinolino[1,8-cd][2]benzazepine
- 112494-56-1
-
- Inchi： 1S/C19H18N2O3/c1-21-6-5-11-8-15-18(24-10-23-15)17-14-4-3-13(22-2)7-12(14)9-20-19(21)16(11)17/h3-4,7-9,19H,5-6,10H2,1-2H3
- InChI Key： LBQHMFHBCMWQAG-UHFFFAOYSA-N
- SMILES： O1COC2=CC3CCN(C)C4C=3C(C3C=CC(=CC=3C=N4)OC)=C12
Computed Properties
- Exact Mass: 322.13184
- Monoisotopic Mass: 322.13174244g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 24
- Rotatable Bond Count: 1
- Complexity: 513
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.6
- Topological Polar Surface Area: 43.3?2
Experimental Properties
- PSA: 43.29
Benzo[d]-1,3-dioxolo[4,5-g]pyrido[4,3,2-jk][2]benzazepine,5,6,7,7a-tetrahydro-11-methoxy-7-methyl-, (-)- (9CI) Related Literature
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Hongxia Li,Aikifa Raza,Qiaoyu Ge,Jin-You Lu,TieJun Zhang Soft Matter, 2020,16, 6841-6849
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Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
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Joo Chuan Yeo,Kenry Lab Chip, 2016,16, 4082-4090
112494-56-1 (Benzo[d]-1,3-dioxolo[4,5-g]pyrido[4,3,2-jk][2]benzazepine,5,6,7,7a-tetrahydro-11-methoxy-7-methyl-, (-)- (9CI)) Related Products
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