UCSF

ZINC28248877

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
February 25th, 2009 24 Yes

Popular Name: Lucanthone Lucanthone

Find On: PubMed — Wikipedia — Google

CAS Numbers: 16170-88-0 , 479-50-5 , 548-57-2

Other Names:

1- -4-methyl-thioxanthen-9-one,4-hydroxy-2-methyl-5-propan-2-yl-benzenesulfonicacid

1-((2-(Diethylamino)ethyl)amino)-4-methylthioxanthen-9-one

1-((2-(Diethylamino)ethyl)amino)-4-methylthioxanthen-9-one monohydrochloride; 1-((2-Diethylaminoethyl)amino)-4-methylthioxanthen-9-one hydrochloride; 1-(2-Diethylaminoethylamino)-4-methylthiaxanthone hydrochloride; 1-(beta-Diethylaminoethylamino)-4-methyl

1-((2-(diethylamino)ethyl)amino)-4-methylthioxanthen-9-one; 1-diethylaminoethylethylamino-4-methyl-thioxanthenone; 1-{[2-(diethylamino)ethyl]amino}-4-methylthioxanthen-9-one

1-((2-(Diethylamino)ethyl)amino)-4-methylthioxanthen-9-one;1-[[2-(Diethylamino)ethyl]amino]-4-methylthioxanthone;Lucanthon;Lucanthone monohydrochloride;Lucanthonum [inn-latin];Lucantona [inn-spanish]

1-(2-diethylaminoethylamino)-4-methyl-thioxanthen-9-one; 4-hydroxy-2-methyl-5-propan-2-yl-benzenesulfonic acid

1-(2-diethylaminoethylamino)-4-methylthioxanthen-9-one

1-[[2-(Diethylamino)ethyl]amino]-4-methylthioxanthone

1-{[2-(Diethylamino)ethyl]amino}-4-methyl-9H-thioxanthen-9-one

479-50-5

479-50-5; C11715; Lucanthone

5-18-11-00503 (Beilstein Handbook Reference)

548-57-2

548-57-2; D04791; Lucanthone hydrochloride (USAN)

79 T61

9H-Thioxanthen-9-one, 1-((2-(diethylamino)ethyl)amino)-4-methyl-

9H-Thioxanthen-9-one, 1-((2-(diethylamino)ethyl)amino)-4-methyl- (9CI)

AC1L1UNW

AI3-16160

BRN 0312369

BW 57223

C11715

CBC 900139

CCRIS 1106

CHEBI:51052

CHEBI:6552; CHEBI:19039

CHEMBL279014

CID10180

DAP001003

DB04967

DR-15771

EINECS 207-532-4

INN); Lucanthone HCl (USAN

INN); Lucanthone Hydrochloride (USAN

LS-153695

Lucanthon

Lucanthone (BAN

Lucanthone hydrochloride

Lucanthone monohydrochloride

Lucanthone [INN:BAN]

lucanthone; lucanthonum; lucantona

Lucanthonum

Lucanthonum [inn-latin]

Lucantona

Lucantona [inn-spanish]

Miracil D

Miracol

NCI60_000988

NCIMech_000830

Nilodin

Scapuren

Thioxanthen-9-one, 1-((2-(diethylamino)ethyl)amino)-4-methyl-

Tixantone

USP)

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 5.39 10.44 -92.72 3 3 2 39 342.508 5 ↓
Hi High (pH 8-9.5) 5.20 8.44 -7.84 1 3 0 32 340.492 6 ↓
Hi High (pH 8-9.5) 5.39 8.13 -30.85 2 3 1 37 341.5 5 ↓

Vendor Notes

Note Type Comments Provided By
ALOGPS_SOLUBILITY 3.15e-03 g/l DrugBank-approved
Patent Database Links EP1815846; EP1829527; EP1829528 ChEBI

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )