2-hydroxypropane-1,2,3-tricarboxylic acid;methyl 6,7-dimethoxy-16-methyl-17-oxa-3,13-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-2(10),4,6,8,18-pentaene-19-carboxylate
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![2-hydroxypropane-1,2,3-tricarboxylic acid;methyl 6,7-dimethoxy-16-methyl-17-oxa-3,13-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-2(10),4,6,8,18-pentaene-19-carboxylate structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/ebb0f20acaf248da93e535f3fa3381c9.png "2-hydroxypropane-1,2,3-tricarboxylic acid;methyl 6,7-dimethoxy-16-methyl-17-oxa-3,13-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-2(10),4,6,8,18-pentaene-19-carboxylate")
2-hydroxypropane-1,2,3-tricarboxylic acid;methyl 6,7-dimethoxy-16-methyl-17-oxa-3,13-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-2(10),4,6,8,18-pentaene-19-carboxylate
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CAS No:
6270-51-5
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Formula:
C29H36N2O12
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Chemical Name:
2-hydroxypropane-1,2,3-tricarboxylic acid;methyl 6,7-dimethoxy-16-methyl-17-oxa-3,13-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-2(10),4,6,8,18-pentaene-19-carboxylate
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Synonyms:
ISORESERPILINE, CITRATE;ELLIPTINE;MLS000736796;NSC35541;NSC72715;SMR000528329;Isoreserpiline, citrate (1:1);6270-51-5;Isoreserpiline citrate;cid_234845;CHEMBL1491685;BDBM51257;DTXSID10284091;HMS2270L17;NSC-35541;NSC-72715
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CAS No:
2-hydroxypropane-1,2,3-tricarboxylic acid;methyl 6,7-dimethoxy-16-methyl-17-oxa-3,13-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-2(10),4,6,8,18-pentaene-19-carboxylate Basic Attributes
604.6 g/mol
604.22682459 g/mol
72715|35541
DTXSID10284091
Computed Properties
Molecular Weight:604.6
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:13
Rotatable Bond Count:9
Exact Mass:604.22682459
Monoisotopic Mass:604.22682459
Topological Polar Surface Area:205
Heavy Atom Count:43
Complexity:926
Undefined Atom Stereocenter Count:4
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes
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