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Structure

Bis(methylthio)gliotoxin(fr-49175)

CAS
74149-38-5
Catalog Number
ACM74149385
Category
Other Products
Molecular Weight
356.46
Molecular Formula
C15H20N2O4S2

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Specification

Synonyms
Bis(methylthio)gliotoxin (FR-49175);bis-(Methylthio)gliotoxin
IUPAC Name
(3R,5aS,6S,10aR)-6-hydroxy-3-(hydroxymethyl)-2-methyl-3,10a-bis(methylsulfanyl)-6,10-dihydro-5aH-pyrazino[1,2-a]indole-1,4-dione
Canonical SMILES
CN1C(=O)C2(CC3=CC=CC(C3N2C(=O)C1(CO)SC)O)SC
InChI Key
OVBAGMZLGLXSBN-UOVKNHIHSA-N
Boiling Point
669.6ºCat 760 mmHg
Flash Point
358.8ºC
Density
1.49 g/cm3
Appearance
Colorless oil
Exact Mass
356.08600
Hazard Statements
Xn: Harmful;
H-Bond Acceptor
4
H-Bond Donor
2
Packing Group
III
Safety Description
36
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