UCSF

ZINC03860369

Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2005 18 No

CAS Numbers: 10/2/117 , 117-10-2 , 2/10/117 , [117-10-2]

Other Names:

"1,8-Dihydroxyanthraquinone, 96%"

1,4,5,8-Tetroxyantraquinone

1,4,5,8-Tetroxyantraquinone; 1,8-Dihydroxyanthrachinon [Czech]; 1,8-Dihydroxyanthraquinone; 1,8-dihydroxy-9,10-anthracenedione; 1,8-dihydroxy-9,10-anthraquinone; 1,8-dihydroxyanthra-9,10-quinone; 1,8-dioxyanthraquinone; 9,10-Anthracenedione, 1,8-dihydroxy

1,8-Dihydroanthraquinone

1,8-Dihydroanthraquinone;1,8-Dihydroxy-9,10-anthracenedione, 9CI;1,8-Dihydroxy-9,10-anthraquinone;1,8-Dihydroxyanthra-9,10-quinone;1,8-Dihydroxyanthracene-9,10-dione;1,8-Dioxyanthraquinone;Altan;Antrapurol;Chrysazin;Chrysazine;Criasazin;Danthron, BAN;Dant

1,8-Dihydroxy-9,10-anthracenedione

1,8-Dihydroxy-9,10-anthraquinone

1,8-Dihydroxy-anthraquinone

1,8-Dihydroxyanthra-9,10-quinone

1,8-dihydroxyanthracene-9,10-dione

1,8-Dihydroxyanthrachinon

1,8-Dihydroxyanthrachinon [Czech]

1,8-Dihydroxyanthrachinon; 1,8-Dihydroxyanthraquinone; 1,8-dihydroxy-9,10-anthracenedione; 1,8-dihydroxy-9,10-anthraquinone; 1,8-dihydroxyanthra-9,10-quinone; Chrysazin; Danthron; Dioxyanthrachinonum

1,8-Dihydroxyanthraquinone

1,8-Dihydroxyanthraquinone [117-10-2]; (Chrysazin, Danthron)

1,8-Dihydroxyanthraquinone, 90-95%

1,8-Dihydroxyanthraquinone, 95%

1,8-Dihydroxyanthraquinone; 117-10-2; C10312; Chrysazin; Danthron

1,8-DIHYDROXYANTHRAQUINONE; [117-10-2]

117-10-2; D07107; Danthron; Dantron (INN); Pilules Vinchy N.F. (TN)

9,10-anthracenedione, 1,8-dihydroxy-

Altan

Antrapurol

Bancon

BRD-K10065684-001-02-5

BRD-K10065684-001-03-3

Chrysazin

Chrysazine

Criasazin

Danivac

Danthron (MI

Dantron

dantron; dantrona; dantrone; dantronum

Dantrona [inn-spanish]

Dantrone [inn-french]

Dantronum [inn-latin]

DHAQ

Diaquone

DIHYDROXYANTHRAQUINON

Dihydroxyanthraquinone

Dionone

Dioxyanthrachinonum

Dorbane

Dorbanex

Dorbantyl

Duolax

INN)

Istan

Istin

Istizin

Laxanorm

Laxanthreen

Laxipur

Laxipurin

LTAN

MFCD00001211

Modane

Neokutin s

Pastomin

Prugol

Regulin

Roydan

Scatron d

Usaf nd-59

USP); Dantron (BAN

Zwitsalax

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

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) 3.13 3.69 -11.62 2 4 0 75 240.214 0

Vendor Notes

Note Type Comments Provided By
biological_source Occurs in roots of Rheum palmatum, leaves and stems of Xyris semifuscata, tissue culture of Cinchona ledgeriana and leaves of Pyrrhalta luteola ZereneX Building Blocks
mechanism Direct action on intestinal mucosa ZereneX Building Blocks
Mp [°C] 190 - 195 Acros Organics
MP 191-193 °C(lit.) Indofine
Melting_Point 191-193? subl. Alfa-Aesar
Melting_Point 191-193° subl. Alfa-Aesar
MP 193 TCI
ALOGPS_SOLUBILITY 3.05e-01 g/l DrugBank-withdrawn
mechanism alters electrolyte-secretion IBScreen Bioactives
mechanism alters water-secretion IBScreen Bioactives
Therapy cathartic SMDC Pharmakon
mechanism Direct action on intestinal mucosa IBScreen Bioactives IBScreen Bioactives
Patent Database Links EP1582549; US2005182103; US2007185145; US2008262073; WO2006012162; WO2006035021 ChEBI
H phrase H351: Suspected of causing cancer Acros Organics
Warnings IRRITANT Matrix Scientific
biological_use Laxative IBScreen Bioactives
P phrase P281: Use personal protective equipment as required Acros Organics
R phrase R40: Limited evidence of a carcinogenic effect. Acros Organics
S phrase S36/37: Wear suitable protective clothing and gloves. Acros Organics
mechanism stimulates myenteric-plexus IBScreen Bioactives
Hazard XN: Harmful Acros Organics

Activity (Go SEA)

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