 Home > Encyclopedia > (5S,5aS,7aR,13S,13aS,15aR)-5,13-Bis(acetyloxy)-5,5a,13,13a-tetrahydro-8H,16H-7a,15a-epidithio-7H,15H-bisoxepino[3′,4′:4,5]pyrrolo[1,2-a:1′,2′-d]pyrazine-7,15-dione

(5S,5aS,7aR,13S,13aS,15aR)-5,13-Bis(acetyloxy)-5,5a,13,13a-tetrahydro-8H,16H-7a,15a-epidithio-7H,15H-bisoxepino[3′,4′:4,5]pyrrolo[1,2-a:1′,2′-d]pyrazine-7,15-dione

(5S,5aS,7aR,13S,13aS,15aR)-5,13-Bis(acetyloxy)-5,5a,13,13a-tetrahydro-8H,16H-7a,15a-epidithio-7H,15H-bisoxepino[3′,4′:4,5]pyrrolo[1,2-a:1′,2′-d]pyrazine-7,15-dione structure

CAS No:
20485-01-2
Formula:
C22H20N2O8S2
Chemical Name:
(5S,5aS,7aR,13S,13aS,15aR)-5,13-Bis(acetyloxy)-5,5a,13,13a-tetrahydro-8H,16H-7a,15a-epidithio-7H,15H-bisoxepino[3′,4′:4,5]pyrrolo[1,2-a:1′,2′-d]pyrazine-7,15-dione
Synonyms:
8H,16H-7a,15a-Epidithio-7H,15H-bisoxepino[3′,4′:4,5]pyrrolo[1,2-a:1′,2′-d]pyrazine-7,15-dione,5,13-bis(acetyloxy)-5,5a,13,13a-tetrahydro-,(5S,5aS,7aR,13S,13aS,15aR)-;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-,diacetate (ester);8H,16H-7a,15a-Epidithio-7H,15H-bisoxepino[3′,4′:4,5]pyrrolo[1,2-a:1′,2′-d]pyrazine-7,15-dione,5,13-bis(acetyloxy)-5,5a,13,13a-tetrahydro-,[5S-(5α,5aα,7aβ,13α,13aα,15aβ)]-;(5S,5aS,7aR,13S,13aS,15aR)-5,13-Bis(acetyloxy)-5,5a,13,13a-tetrahydro-8H,16H-7a,15a-epidithio-7H,15H-bisoxepino[3′,4′:4,5]pyrrolo[1,2-a:1′,2′-d]pyrazine-7,15-dione;LL-S 88α;Acetylaranotin;Aranotin,acetyl-;Antibiotic A 21101-II;(-)-Acetylaranotin;25825-50-7;29864-56-0

Request for Quotation

(5S,5aS,7aR,13S,13aS,15aR)-5,13-Bis(acetyloxy)-5,5a,13,13a-tetrahydro-8H,16H-7a,15a-epidithio-7H,15H-bisoxepino[3′,4′:4,5]pyrrolo[1,2-a:1′,2′-d]pyrazine-7,15-dione Basic Attributes

Molecular Weight：

504.538

Exact Mass：

504.53

Characteristics

PSA：

162

XLogP3：

-0.8

Melting Point：

201-215 °C (decomp)

Toxicity：

LD50 intraperitoneal in mouse: 40mg/kg

Drug Information

MeSH Entry Terms：

acetylaranotin

Computed Properties

Molecular Weight:504.5
XLogP3:-0.8
Hydrogen Bond Acceptor Count:10
Rotatable Bond Count:4
Exact Mass:504.06610795
Monoisotopic Mass:504.06610795
Topological Polar Surface Area:162
Heavy Atom Count:34
Complexity:1060
Undefined Atom Stereocenter Count:6
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Hot Searches: copper hydroxide; boric acid; t butyl alcohol; gluconic acid; 1 pentyl alcohol; red88.ag

Guide of (5S,5aS,7aR,13S,13aS,15aR)-5,13-Bis(acetyloxy)-5,5a,13,13a-tetrahydro-8H,16H-7a,15a-epidithio-7H,15H-bisoxepino[3′,4′:4,5]pyrrolo[1,2-a:1′,2′-d]pyrazine-7,15-dione

Basic Attributes
Characteristics
Drug Information
Computed Properties

(5S,5aS,7aR,13S,13aS,15aR)-5,13-Bis(acetyloxy)-5,5a,13,13a-tetrahydro-8H,16H-7a,15a-epidithio-7H,15H-bisoxepino[3′,4′:4,5]pyrrolo[1,2-a:1′,2′-d]pyrazine-7,15-dione

SDS

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