(5S)-5-C-(3-Carboxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)-D-arabinitol
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![(5S)-5-C-(3-Carboxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)-D-arabinitol structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/c2f1c7d557a0444696090c37366f009e.png "(5S)-5-C-(3-Carboxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)-D-arabinitol")
(5S)-5-C-(3-Carboxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)-D-arabinitol
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CAS No:
154204-09-8
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Formula:
C17H22N2O7
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Chemical Name:
(5S)-5-C-(3-Carboxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)-D-arabinitol
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Synonyms:
D-Arabinitol,5-C-(3-carboxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)-,(5S)-;Pentitol,1-C-(3-carboxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)-;1H-Pyrido[3,4-b]indole,pentitol deriv.;(5S)-5-C-(3-Carboxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)-D-arabinitol;Tetrahydropentoxyline
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CAS No:
Description
Tetrahydropentoxyline is a member of the class of beta-carbolines that is 2,3,4,9-tetrahydro-1H-beta-carboline in which a hydrogen at positions 1 and 3 have been replaced by a (5S)-D-arabinityl and carboxy groups, respectively. It is a metabolite found in human urine. It has a role as an animal metabolite and a human urinary metabolite. It is a member of beta-carbolines, a monocarboxylic acid and a pentitol derivative.
(5S)-5-C-(3-Carboxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)-D-arabinitol Basic Attributes
366.4 g/mol
366.37
Drug Information
1-(1',2',3',4',5'-pentahydroxypentyl)-1,2,3,-tetrahydro-2-carboline-3-carboxylic acid
Computed Properties
Molecular Weight:366.4
XLogP3:-4.3
Hydrogen Bond Donor Count:8
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:6
Exact Mass:366.14270105
Monoisotopic Mass:366.14270105
Topological Polar Surface Area:166
Heavy Atom Count:26
Complexity:508
Defined Atom Stereocenter Count:4
Undefined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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