Compound: anthralin
SMILES: O=C1c2c(O)cccc2Cc3c1c(O)ccc3
InChIKey: NUZWLKWWNNJHPT-UHFFFAOYSA-N
Synonyms: anthralin, Dithranol, 1143-38-0, Cignolin, 9(10H)-Anthracenone, 1,8-dihydroxy-, Chrysodermol, Cigthranol, Batridol, 1,8-Dihydroxy-9-anthrone, Psoriacid-Stift, Anthra-Derm, Drithoscalp, Derobin, DrithoCreme, Lasan, Batidrol, Psodadrate, Psoriacide, Anthrone, 1,8-dihydroxy-, Dithranolum, Anthraderm, Dermaline, Zithranol-RR, 1,8-DIHYDROXY-9(10H)-ANTHRACENONE, Ditranol, NSC 629313, U8CJK0JH5M, Anthralin (USP), Anthralin [USP], NSC-43970, NSC-629313, DTXSID7024538, CHEBI:37510, NSC629313, DTXCID504538, NSC43970, Antraderm, Alphodith, Zithranol, Dithrocream fte, Dithrocream hp, Psorin fte, Stie-lasan, Dihydroxyanthranol, FNA, Ditranol, RefChem:57714, 1,8 Dihydroxy 9 anthrone, D05AC01, 214-538-0, CHEBI:2756, Dioxyanthranol, 1,8-Dihydroxyanthracen-9(10H)-one, 1,8-Dihydroxyanthrone, 1,8-dihydroxy-10H-anthracen-9-one, Anthraline, Dithranol [INN], NSC 43970, CHEMBL46469, 1,8-dihydroxy-9,10-dihydroanthracen-9-one, Dithranol (INN), NCGC00091330-01, 1,8-Dihydroxy-9(10H)-anthracenone;Anthralin, Dithranolum [INN-Latin], CCRIS 628, CAS-1143-38-0, Anthralin (Dithranol), SR-05000002011, EINECS 214-538-0, UNII-U8CJK0JH5M, BRN 2054360, CCRIS 5592, Dithranol CRS, Prestwick_528, Anthralin, Dithranol, Dithranol (Standard), NSC 403736, BRN 1976792, Anthrone,8-dihydroxy-, Spectrum_000056, ANTHRADERM (TN), ANTHRALIN [MI], DITHRANOL [IARC], Spectrum2_000111, Spectrum3_000304, Spectrum4_000151, Spectrum5_000820, ANTHRALIN [VANDF], DITHRANOL [MART.], Epitope ID:114081, 1,8-dihydroxy-9-anthrane, ANTHRALIN [USP-RS], cid_2202, DITHRANOL [WHO-DD], DITHRANOL [WHO-IP], SCHEMBL3197, BSPBio_001868, KBioGR_000622, KBioSS_000436, 4-06-00-07602 (Beilstein Handbook Reference), MLS001332632, MLS002415712, DivK1c_000021, SPECTRUM1500127, SPBio_000122, orb1309875, DITHRANOL [EP IMPURITY], DITHRANOL [EP MONOGRAPH], Dithranol, >=90% (HPLC), SCHEMBL29439039, SCHEMBL30013383, HMS500B03, HY-B0738R, KBio1_000021, KBio2_000436, KBio2_003004, KBio2_005572, KBio3_001368, NUZWLKWWNNJHPT-UHFFFAOYSA-, ANTHRALIN [USP MONOGRAPH], NINDS_000021, HMS1920E07, HMS2091K07, HMS2271B09, HMS3715H19, HMS5083H17, Pharmakon1600-01500127, HY-B0738, 9(10H)-Anthracenone,8-dihydroxy-, Tox21_111115, Tox21_201851, Tox21_300290, BDBM50041802, CCG-38920, EBC-26240, NSC755873, s4590, 1,8-dihydroxy-9-(10H)anthracenone, AKOS015914122, Tox21_111115_1, DB11157, FA17945, KS-5183, NSC-755873, 1,8-dihydroxy-10-hydroanthracen-9-one, IDI1_000021, 1,8-Dihydroxy-9(10H)-anthracenone #, NCGC00091330-02, NCGC00091330-03, NCGC00091330-04, NCGC00091330-05, NCGC00091330-07, NCGC00253941-01, NCGC00259400-01, AC-14842, NCI60_004019, SBI-0051286.P003, DB-060606, NS00005038, ST50825759, C06831, D00233, D97650, SBI-0051286.0001, AB00051916_07, EN300-18537628, Q419397, SR-05000002011-1, SR-05000002011-2, BRD-K04725460-001-10-5, BRD-K04725460-001-11-3, Dithranol, European Pharmacopoeia (EP) Reference Standard, Anthralin, United States Pharmacopeia (USP) Reference Standard, Anthralin (Dithranol), Pharmaceutical Secondary Standard; Certified Reference Material, InChI=1/C14H10O3/c15-10-5-1-3-8-7-9-4-2-6-11(16)13(9)14(17)12(8)10/h1-6,15-16H,7H2
Theoretical properties:
molecular_formula: C14H10O3
molecular_weight: 226.23 g/mol
exact_mass: 226.062994177 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 2
hydrogen_bond_acceptor_count: 3
rotatable_bond_count: 0
heavy_atom_count: 17
topological_polar_surface_area: 57.5 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
melting_point: 349 to 358 °F (NTP, 1992)
solubility: less than 1 mg/mL at 68 °F (NTP, 1992)
Descriptions:
pubchem: Anthralin is an anthracene compound derived by the substitution of -OH groups for hydrogen at C-1 and C-8, and with an oxo group at C-9. It has a role as an antipsoriatic. It is functionally related to an anthrone. It is a tautomer of an anthracene-1,8,9-triol.
chebi: An anthracene compound derived by the substitution of -OH groups for hydrogen at C-1 and C-8, and with an oxo group at C-9.
chembl: ANTHRALIN is a small molecule listed in the ChEMBL database and has reached clinical trial phase 2.0.
wikipedia: Dithranol (INN) or anthralin (USAN and former BAN) is a hydroxyanthrone, anthracene derivative, and is used in medications applied to the skin of people with psoriasis. It is available as creams, ointment or pastes in 0.1 to 2% strengths (Drithocreme, Dithrocream, Zithranol-RR, Micanol, Psorlin, Dritho-Scalp, Anthraforte, Anthranol and Anthrascalp). The terms dithranol and anthralin are sometimes used synonymously.