5-[4-[(3aR,9bR)-9-methoxy-3,3a,4,9b-tetrahydro-1H-chromeno[3,4-c]pyrrol-2-yl]butyl]-12-phenyl-8-thia-3,5,10,13-tetrazatricyclo[7.4.0.02,7]trideca-1(13),2(7),9,11-tetraene-4,6-dione;hydrochloride
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![5-[4-[(3aR,9bR)-9-methoxy-3,3a,4,9b-tetrahydro-1H-chromeno[3,4-c]pyrrol-2-yl]butyl]-12-phenyl-8-thia-3,5,10,13-tetrazatricyclo[7.4.0.02,7]trideca-1(13),2(7),9,11-tetraene-4,6-dione;hydrochloride structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/31ca1a6e360147768f654b9df0c52710.png "5-[4-[(3aR,9bR)-9-methoxy-3,3a,4,9b-tetrahydro-1H-chromeno[3,4-c]pyrrol-2-yl]butyl]-12-phenyl-8-thia-3,5,10,13-tetrazatricyclo[7.4.0.02,7]trideca-1(13),2(7),9,11-tetraene-4,6-dione;hydrochloride")
5-[4-[(3aR,9bR)-9-methoxy-3,3a,4,9b-tetrahydro-1H-chromeno[3,4-c]pyrrol-2-yl]butyl]-12-phenyl-8-thia-3,5,10,13-tetrazatricyclo[7.4.0.02,7]trideca-1(13),2(7),9,11-tetraene-4,6-dione;hydrochloride
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CAS No:
208992-74-9
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Formula:
C30H30ClN5O4S
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Chemical Name:
5-[4-[(3aR,9bR)-9-methoxy-3,3a,4,9b-tetrahydro-1H-chromeno[3,4-c]pyrrol-2-yl]butyl]-12-phenyl-8-thia-3,5,10,13-tetrazatricyclo[7.4.0.02,7]trideca-1(13),2(7),9,11-tetraene-4,6-dione;hydrochloride
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Synonyms:
3-(4-(9-methoxy-1,2,3,3a,4,9b-hexahydro(1)benzopyran(3,4-c)pyrrol-2-yl)butyl)-8-phenylpyrazino(2',3'-4,5)thieno(3,2-d)pyrimidine-2,4(1H,3H)-dione;ABT 980;ABT-980;ABT980;fiduxosin;Fiduxosin hydrochloride;UNII-UYV23L1N89;UYV23L1N89;ABT-980;208992-74-9;A-185980.1;Fiduxosin hydrochloride (USAN);Fiduxosin hydrochloride [USAN];MLS002153379;NCGC00162178-02;SMR001230768;Fiduxosin HCl;DSSTox_CID_28939;DSSTox_RID_83205;DSSTox_GSID_49013;SCHEMBL1321348;CHEMBL1256028;DTXSID1049013;Tox21_113517;Tox21_500525;CCG-221829;LP00525;NCGC00093918-01;NCGC00261210-01;CAS-208993-54-8;EU-0100525;D04184;F 4303;Fiduxosin hydrochloride, >98% (HPLC), solid;SR-01000076209;J-013707;SR-01000076209-1;Q27291340;(3-[4-((3alphaR,9betaR)-cis-9-methoxy-1,2,3,3a,4,9b-hexahydro-[1]-benzopyrano[3,4-c]pyrrol-2-yl)butyl]-8-phenyl-pyrazino-[2',3':4,5]thi-eno [3,2-d]pyrimidine-2,4(1H,3H)-dione) hydrochloride;5-[4-[(3aR,9bR)-9-methoxy-3,3a,4,9b-tetrahydro-1H-chromeno[3,4-c]pyrrol-2-yl]butyl]-12-phenyl-8-thia-3,5,10,13-tetrazatricyclo[7.4.0.02,7]trideca-1(13),2(7),9,11-tetraene-4,6-dione;hydrochloride;8-Phenyl-3-(4-((3aR,9bR)-1,3a,4,9b-tetrahydro-9-methoxy(1)benzopyrano(3,4-c)pyrrol-2(3H)-yl)butyl)pyrazino(2',3':4,5)thieno(3,2-d)pyrimidine-2,4(1H,3H)-dione monohydrochloride;Pyrazino(2',3':4,5)thieno(3,2-d)pyrimidine-2,4(1H,3H)-dione, 8-phenyl-3-(4-((3aR,9bR)-1,3a,4,9b-tetrahydro-9-methoxy(1)benzopyran-o(3,4-c)pyrrol-2(3H)-yl)butyl)-,monohydrochloride;Pyrazino(2',3':4,5)thieno(3,2-d)pyrimidine-2,4(1H,3H)-dione, 8-phenyl-3-(4-((3aR,9bR)-1,3a,4,9b-tetrahydro-9-methoxy(1)benzopyrano(3,4-c)pyrrol-2(3H)-yl)butyl)-, monohydrochloride
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CAS No:
5-[4-[(3aR,9bR)-9-methoxy-3,3a,4,9b-tetrahydro-1H-chromeno[3,4-c]pyrrol-2-yl]butyl]-12-phenyl-8-thia-3,5,10,13-tetrazatricyclo[7.4.0.02,7]trideca-1(13),2(7),9,11-tetraene-4,6-dione;hydrochloride Basic Attributes
592.1 g/mol
591.1707033 g/mol
UYV23L1N89
DTXSID1049013
Safety Information
|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 38 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Drug Information
3-(4-(9-methoxy-1,2,3,3a,4,9b-hexahydro(1)benzopyran(3,4-c)pyrrol-2-yl)butyl)-8-phenylpyrazino(2',3'-4,5)thieno(3,2-d)pyrimidine-2,4(1H,3H)-dione
Computed Properties
Molecular Weight:592.1
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:7
Exact Mass:591.1707033
Monoisotopic Mass:591.1707033
Topological Polar Surface Area:125
Heavy Atom Count:41
Complexity:936
Defined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes
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