Cas no 76202-23-8 (Ibogamine-18-carboxylicacid, 13-hydroxy-, methyl ester (9CI))
76202-23-8 structure
Product Name:Ibogamine-18-carboxylicacid, 13-hydroxy-, methyl ester (9CI)
CAS No:76202-23-8
MF:C21H26N2O3
MW:354.442745685577
CID:579443
PubChem ID:156675
Update Time:2025-04-19
Ibogamine-18-carboxylicacid, 13-hydroxy-, methyl ester (9CI) Chemical and Physical Properties
Names and Identifiers
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- Ibogamine-18-carboxylicacid, 13-hydroxy-, methyl ester (9CI)
- Ibogamine-18-carboxylic acid, 13-hydroxy-, methyl ester
- 13-Hydroxy-ibogamine-18-carboxylic acid methyl ester
- DTXSID20997549
- 76202-23-8
- methyl 13-hydroxyibogamine-18-carboxylate
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- Inchi： 1S/C21H26N2O3/c1-3-13-8-12-10-21(20(25)26-2)18-16(6-7-23(11-12)19(13)21)15-5-4-14(24)9-17(15)22-18/h4-5,9,12-13,19,22,24H,3,6-8,10-11H2,1-2H3/t12-,13+,19+,21-/m1/s1
- InChI Key： GFEUNVMURRUASI-YDBSYXHISA-N
- SMILES： O(C)C([C@]12C3=C(C4C=CC(=CC=4N3)O)CCN3C[C@H](C[C@H](CC)[C@H]31)C2)=O
Computed Properties
- Exact Mass: 354.19434270g/mol
- Monoisotopic Mass: 354.19434270g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 26
- Rotatable Bond Count: 3
- Complexity: 584
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 4
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3.2
- Topological Polar Surface Area: 65.6?2
Experimental Properties
- Density: 1.32±0.1 g/cm3 (20 oC 760 Torr),
- Solubility: Almost insoluble (0.06 g/l) (25 o C),
Ibogamine-18-carboxylicacid, 13-hydroxy-, methyl ester (9CI) Related Literature
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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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Xinhuan Wang,Shuangfei Cai,Cui Qi Analyst, 2017,142, 2500-2506
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Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
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Guang Xu,Wei Zhang,Ying Zhang,Xiaoxia Zhao,Ping Wen,Di Ma RSC Adv., 2018,8, 19353-19361
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Byungho Lim,Jaewon Jin,Jin Yoo,Seung Yong Han,Kyeongyeol Kim,Sungah Kang,Nojin Park,Sang Moon Lee,Hae Jin Kim,Seung Uk Son Chem. Commun., 2014,50, 7723-7726
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