Cas no 491-58-7 (Chyzarobin)
Chyzarobin structure
Product Name:Chyzarobin
Chyzarobin Chemical and Physical Properties
Names and Identifiers
-
- Chyzarobin
- CHRYSAROBIN
- CHRYSAROBIN CRUDE FROM GOA POWDER
- 1,8-Dihydroxy-3-methylanthracen-9(10H)-one
- 1,8-Dihydroxy-3-methyl-anthron
- 1,8-dihydroxy-3-methyl-anthrone
- CHEBI:3686
- Chrysophanic acid 9-anthrone
- Chrysophanic acid-9-anthrone
- Chrysophanol anthrone
- Chrysophanol-9-anthrone
- Chrysothrone
- SpecPlus_000166
- Spectrum_001297
- CCRIS 644
- Chrysarobin (pure substance)
- LMPK13040005
- 1,8-dihydroxy-3-methyl-9(10H)-anthracenone
- KBioSS_001777
- EINECS 207-740-5
- AI3-16523
- Q27106164
- DivK1c_006262
- NCGC00178414-01
- Spectrum3_001277
- CHEMBL122196
- CHRYSAROBINUM [HPUS]
- 1,8-dihydroxy-3-methylanthrone
- BSPBio_002874
- NS00031863
- BDBM50060892
- Chrysophanolanthron
- Spectrum2_000592
- Chrysophanolanthrone
- KBio2_004345
- 6307EF51M1
- Anthrone, 1,8-dihydroxy-3-methyl-
- UNII-6307EF51M1
- 9(10H)-Anthracenone, 1,8-dihydroxy-3-methyl-
- KBio3_002374
- KBio2_001777
- CHRYSAROBIN [MI]
- CHRYSAROBIN [WHO-DD]
- Spectrum5_000533
- 1,8-dihydroxy-3-methyl-10H-anthracen-9-one
- 491-58-7
- SPBio_000464
- SCHEMBL1003557
- KBio2_006913
- DTXSID20197683
- CHRYSAROBINUM
- Spectrum4_001657
- KBio1_001206
- KBioGR_002153
- CCG-39165
- 1,8-DIHYDROXY-3-METHYL-9-ANTHRONE
- SR-05000002486-1
- SR-05000002486
-
- Inchi： 1S/C15H12O3/c1-8-5-10-7-9-3-2-4-11(16)13(9)15(18)14(10)12(17)6-8/h2-6,16-17H,7H2,1H3
- InChI Key： ZZBWSNKBZKPGAK-UHFFFAOYSA-N
- SMILES： OC1=CC(C)=CC2=C1C(C1C(=CC=CC=1C2)O)=O
Computed Properties
- Exact Mass: 240.07866
- Monoisotopic Mass: 240.078644241g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 18
- Rotatable Bond Count: 0
- Complexity: 341
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3.6
- Topological Polar Surface Area: 57.5?2
Experimental Properties
- Melting Point: 203.4-204°
- PSA: 57.53
Chyzarobin Security Information
- Hazardous Material transportation number：UN 2811 6.1/PG 3
- Hazard Category Code： 20/21/22-36/37-41-43
- Safety Instruction： 26-36
-
Hazardous Material Identification：
- Risk Phrases：R20/21/22
Chyzarobin Related Literature
-
1. CLVII.—The constituents of commercial chrysarobinHooper Albert Dickinson Jowett,Charles Etty Potter J. Chem. Soc. Trans. 1902 81 1575
-
2. XXXVII.—The constituents of commercial chrysarobinFrank Tutin,Hubert William Bentley Clewer J. Chem. Soc. Trans. 1912 101 290
-
Matías L. Giglio,Wilhelm Boland,Horacio Heras Nat. Prod. Rep. 2022 39 1938
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