5-[(3-chloro-6-methyl-5,5-dioxido-11H-benzo[c][2,1]benzothiazepin-11-yl)amino]pentanoic acid
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![5-[(3-chloro-6-methyl-5,5-dioxido-11H-benzo[c][2,1]benzothiazepin-11-yl)amino]pentanoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/3aedb0a3f6a44641960b24a6ef32fc1b.png "5-[(3-chloro-6-methyl-5,5-dioxido-11H-benzo[c][2,1]benzothiazepin-11-yl)amino]pentanoic acid")
5-[(3-chloro-6-methyl-5,5-dioxido-11H-benzo[c][2,1]benzothiazepin-11-yl)amino]pentanoic acid
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CAS No:
104732-22-1
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Formula:
C19H21ClN2O4S-2
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Chemical Name:
5-[(3-chloro-6-methyl-5,5-dioxido-11H-benzo[c][2,1]benzothiazepin-11-yl)amino]pentanoic acid
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Synonyms:
MC(5) tianeptine;MC5 tianeptine;tianeptine MC(5);MC(5) tianeptine;104732-22-1;Tianeptine MC(5);MC5 tianeptine;Pentanoic acid, 5-((3-chloro-6,11-dihydro-6-methyl-5,5-dioxidodibenzo(c,f)(1,2)thiazepin-11-yl)amino)-
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CAS No:
5-[(3-chloro-6-methyl-5,5-dioxido-11H-benzo[c][2,1]benzothiazepin-11-yl)amino]pentanoic acid Basic Attributes
408.9 g/mol
408.0910560 g/mol
Computed Properties
Molecular Weight:408.9
XLogP3:1
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:6
Exact Mass:408.0910560
Monoisotopic Mass:408.0910560
Topological Polar Surface Area:99.7
Heavy Atom Count:27
Formal Charge:-2
Complexity:524
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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