Aranotin

Category	SARS-CoV
CAS	19885-51-9

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Synonyms	ARANOTIN;Aranotina;19885-51-9;Aranotinum;Ariotin;Aranotine;Lilly 53185;H56CKB2FFV;L 53185;[(1R,4S,5S,12R,15S,16S)-16-hydroxy-2,13-dioxo-8,19-dioxa-23,24-dithia-3,14-diazahexacyclo[10.10.2.01,14.03,12.04,10.015,21]tetracosa-6,9,17,20-tetraen-5-yl] acetate;8H,16H-7a,15a-Epidithio-7H,15H-bisoxepino(3',4':4,5)pyrrolo(1,2-a:1',2'-d)pyrazine-7,15-dione, 5-(acetyloxy)-5,5a,13,13a-tetrahydro-13-hydroxy-;Aranotin [USAN:INN];Aranotine [INN-French];Aranotinum [INN-Latin];Aranotina [INN-Spanish];UNII-H56CKB2FFV;Antibiotic A 21101-IL;A-21101-IL;BRN 3042102;ARANOTIN [USAN];ARANOTIN [INN];Antibiotic A 21101-III;CHEMBL2104550;CHEBI:88274;DTXSID301043204;AKOS040746586;5,5a,13,13a-Tetrahydro-5,13-dihydroxy-8H,16H-7a,15a-epidithio-7H,15H-bisoxepino(3',4':4,5)pyrrolo(1,2-a:1',2'-d)pyrazine-7,15-dione 5-acetate;5-Acetoxy-5,5a,7,7a,8,13,13a,15,15a,16-decahydro-7a,15a-epidithio-13-hydroxybisoxepino(3',4':4,5)pyrrolo(1,2-a:1',2'-d)pyrazin-7,15-dion;HY-105721;CS-0026523;Q27160157;(5S,5aS,7aR,13S,13aS,15aR)-13-hydroxy-7,15-dioxo-5,5a,13,13a-tetrahydro-7H,8H,15H,16H-7a,15a-epidithiobisoxepino[3',4':4,5]pyrrolo[1,2-a:1',2'-d]pyrazin-5-yl acetate;(5S,5aS,7aR,13S,13aS,15aR)-13-hydroxy-7,15-dioxo-5,5a,13,13a-tetrahydro-7H,8H,15H,16H-7a,15a-epidithiooxepino[3',4':4,5]pyrrolo[1,2-a]oxepino[3',4':4,5]pyrrolo[1,2-d]pyrazin-5-yl acetate;5A,13,13A-TETRAHYDRO-5,13-DIHYDROXY-8H,16H-7A,15A-EPIDITHIO-7H,15H-BISOXEPINO(3',4':4,5)PYRROLO(1,2-A:1',2'-D)PYRAZINE-7,15-DIONE 5-ACETATE;8H,16H-7a,15a-Epidithio-7H,15H-bisoxepino(3',4':4,5)pyrrolo(1,2-a:1',2'-d)pyrazine-7,15-dione, 5,5a,13,13a-tetrahydro-5,13-dihydroxy-, 5-acetate;
IUPAC Name	[(1R,4S,5S,12R,15S,16S)-16-hydroxy-2,13-dioxo-8,19-dioxa-23,24-dithia-3,14-diazahexacyclo[10.10.2.01,14.03,12.04,10.015,21]tetracosa-6,9,17,20-tetraen-5-yl] acetate
Molecular Weight	462.50
Molecular Formula	C20H18N2O7S2
Canonical SMILES	O=C(N1[C@@]2([H])C3=COC=C[C@@H]2O)[C@@](C4)(SS[C@]1(C3)C5=O)N5[C@@]6([H])C4=COC=C[C@@H]6OC(C)=O
InChI	InChI=1S/C20H18N2O7S2/c1-10(23)29-14-3-5-28-9-12-7-20-17(25)21-15-11(8-27-4-2-13(15)24)6-19(21,30-31-20)18(26)22(20)16(12)14/h2-5,8-9,13-16,24H,6-7H2,1H3/t13-,14-,15-,16-,19+,20+/m0/s1
InChIKey	HXWOWBFXYUFFKS-PSJNWGMYSA-N
Storage	Please store the product under the recommended conditions in the Certificate of Analysis.