Cas no 30341-92-5 (Ergoline-8-carboxylicacid, methyl ester, (8b)- (9CI))
30341-92-5 structure
Product Name:Ergoline-8-carboxylicacid, methyl ester, (8b)- (9CI)
CAS No:30341-92-5
MF:C16H18N2O2
MW:270.326323986053
CID:313061
PubChem ID:21726051
Update Time:2025-04-19
Ergoline-8-carboxylicacid, methyl ester, (8b)- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- Ergoline-8-carboxylicacid, methyl ester, (8b)- (9CI)
- ERGOLINE-8-CARBOXYLIC ACID METHYL ESTER
- methyl (6aR,9R,10aR)-4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinoline-9-carboxylate
- ORIBUSCBDFDAIQ-MPKXVKKWSA-N
- 30341-92-5
- AC-14870
- SCHEMBL1892716
- Ergoline-8-carboxylic acid, methyl ester, (8beta)-
- (6aR,9R,10aR)-methyl 4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinoline-9-carboxylate
- 8beta-methoxycarbonylergoline
- Ergoline-8-carboxylic?acid,?methyl?ester
-
- Inchi: 1S/C16H18N2O2/c1-20-16(19)10-5-12-11-3-2-4-13-15(11)9(7-17-13)6-14(12)18-8-10/h2-4,7,10,12,14,17-18H,5-6,8H2,1H3/t10-,12-,14-/m1/s1
- InChI Key: ORIBUSCBDFDAIQ-MPKXVKKWSA-N
- SMILES: O(C)C([C@H]1CN[C@@H]2CC3=CNC4=CC=CC(=C34)[C@H]2C1)=O
Computed Properties
- Exact Mass: 270.13694
- Monoisotopic Mass: 270.136827821g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 20
- Rotatable Bond Count: 2
- Complexity: 400
- 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
- XLogP3: 1.8
- Topological Polar Surface Area: 54.1?2
Experimental Properties
- PSA: 54.12
Ergoline-8-carboxylicacid, methyl ester, (8b)- (9CI) Related Literature
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Amandine Altmayer-Henzien,Valérie Declerck,David J. Aitken,Ewen Lescop,Denis Merlet,Jonathan Farjon Org. Biomol. Chem., 2013,11, 7611-7615
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Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
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Yiding Jiao,Liqun Kang,Jasper Berry-Gair,Kit McColl,Jianwei Li,Haobo Dong,Hao Jiang,Ryan Wang,Furio Corà,Dan J. L. Brett,Ivan P. Parkin J. Mater. Chem. A, 2020,8, 22075-22082
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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