Cas no 7005-82-5 ((-)-Emetin)
(-)-Emetin structure
Product Name:(-)-Emetin
CAS No:7005-82-5
MF:C29H40N2O4
MW:480.63890838623
CID:2015845
PubChem ID:9426
Update Time:2025-04-21
(-)-Emetin Chemical and Physical Properties
Names and Identifiers
-
- (-)-Emetin
- (-)-Emetine
- 10,11,6',7'-tetramethoxy-emetane
- B,2HCl-Emetine
- Emetin
- Emetine
- SJ000285215
- NSC-25464
- GNF-Pf-5190
- FT-0625656
- MEGxp0_002048
- 2H-Benzo(a)quinolizine, 3-ethyl-1,3,4,6,7,11b-hexahydro-9,10-dimethoxy-2-((1,2,3,4-tetrahydro-6,7-dimethoxy-1-isoquinolyl)methyl)-
- SW220072-1
- ISOEMETINE, TETRADEHYDRO-
- 1-({3-Ethyl-9,10-dimethoxy-1H,2H,3H,4H,6H,7H,11bH- pyrido[2,1-a]isoquinolin-2-yl}methyl)-6,7- dimethoxy-1,2,3,4-tetrahydroisoquinoline
- 7005-82-5
- Amebicide (Salt/Mix)
- ACon0_000657
- AUVVAXYIELKVAI-UHFFFAOYSA-N
- DTXSID80859331
- CHEMBL192858
- NSC25464
- Purum (Salt/Mix)
- NSC 33669
- SCHEMBL13912579
- 1a({3aEthyla9,10adimethoxya1H,2H,3H,4H,6H,7H,11bHa pyrido[2,1aa]isoquinolina2ayl}methyl)a6,7a dimethoxya1,2,3,4atetrahydroisoquinoline
-
- Inchi： 1S/C29H40N2O4/c1-6-18-17-31-10-8-20-14-27(33-3)29(35-5)16-23(20)25(31)12-21(18)11-24-22-15-28(34-4)26(32-2)13-19(22)7-9-30-24/h13-16,18,21,24-25,30H,6-12,17H2,1-5H3
- InChI Key： AUVVAXYIELKVAI-UHFFFAOYSA-N
- SMILES： O(C)C1C(=CC2CCN3CC(CC)C(CC4C5C=C(C(=CC=5CCN4)OC)OC)CC3C=2C=1)OC
Computed Properties
- Exact Mass: 480.29880776g/mol
- Monoisotopic Mass: 480.29880776g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 35
- Rotatable Bond Count: 7
- Complexity: 679
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 4
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 4.7
- Topological Polar Surface Area: 52.2?2
(-)-Emetin Related Literature
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Kaiyuan Huang,Wangkang Qiu,Meilian Ou,Xiaorui Liu,Zenan Liao,Sheng Chu RSC Adv., 2020,10, 18824-18829
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2. An integrated chip for immunofluorescence and its application to analyze lysosomal storage disordersJie Shen,Ying Zhou,Tu Lu,Junya Peng,Zhixiang Lin,Yuhong Pang,Li Yu Lab Chip, 2012,12, 317-324
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Connor J. Taylor,Hikaru Seki,Friederike M. Dannheim,Mark J. Willis,Graeme Clemens,Brian A. Taylor,Thomas W. Chamberlain,Richard A. Bourne React. Chem. Eng., 2021,6, 1404-1411
-
4. An integrated microfluidic 3D tumor system for parallel and high-throughput chemotherapy evaluation?Dan Liu,Rui Hu,Zhongchao Huang,Meilin Sun,Kai Han Analyst, 2020,145, 6447-6455
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Yuan-Jun Tong,Lu-Dan Yu,Lu-Lu Wu,Shu-Ping Cao,Ru-Ping Liang,Li Zhang,Xing-Hua Xia,Jian-Ding Qiu Chem. Commun., 2018,54, 7487-7490
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