当归素

Description

isopsoralen · CAS 523-50-2 · C11H6O3. UNII CZZ080D7BD. Boiling Point: 360.00 to 362.00 °C. @ 760.00 mm Hg; Melting Point: 140 °C; Melting Point: 138 - 139.5 °C.

Identification

CAS Registry Number	523-50-2
PubChem CID	10658
Molecular formula	C11H6O3
IUPAC name	furo[2,3-h]chromen-2-one
UNII (FDA)	CZZ080D7BD

Computed Descriptors

Molecular Weight	186.16
XLogP3	2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Exact Mass	186.031694049
Monoisotopic Mass	186.031694049
Topological Polar Surface Area	39.4
Heavy Atom Count	14
Formal Charge	0

Physical & Chemical Properties

Boiling Point	360.00 to 362.00 °C. @ 760.00 mm Hg
Melting Point	140 °C
Melting Point	138 - 139.5 °C
Solubility	In water, 20 mg/L
Vapor Pressure	0.0000224 [mmHg]
LogP	log Kow = 2.08
LogP	2.08

Physical description & handling notes

• Solid; [MSDSonline]
• Solid
• White crystalline solid
• Slight hay-like odor
• Very slightly soluble in water (20 mg/L)
• Soluble in methanol and ethanol

GHS Hazard Classification

Reported hazard statements	H302 (100%), H312 (90.5%), H315 (100%), H319 (100%), H332 (90.5%), H335 (97.6%), H351 (90.5%)

Documented Uses

• Found in many plants traditionally used as herbal remedies; Highly fluorescent; [HSDB] Present in plants of the Umbelliferae family; Clinically tested in combination with ultraviolet A radiation for the treatment of psoriasis; [IARC]
• Angelicin is used as tranquilliser, sedative, or anticonvulsant. (L579)
• Psoralens are natural furocoumarins well-known for their photosensitizing potential. Porphyrins, including hematoporphyrin derivatives (HPD), are also potent photosensitizers. ... Psoralens ... have an action spectrum in the UV-A range. /Psoralens/
• Drugs used to prevent SEIZURES or reduce their severity.
• Agents that are capable of inserting themselves between the successive bases in DNA, thus kinking, uncoiling or otherwise deforming it and therefore preventing its proper functioning. They are used in the study of DNA.
• A traditional grouping of drugs said to have a soothing or calming effect on mood, thought, or behavior. Included here are the ANTI-ANXIETY AGENTS (minor tranquilizers), ANTIMANIC AGENTS, and the ANTIPSYCHOTIC AGENTS (major tranquilizers). These drugs act by different mechanisms and are used for different therapeutic purposes.

Synonyms

Angelicin; 523-50-2; ISOPSORALEN; Angecin; Furo(2,3-h)coumarin; 2H-Furo[2,3-H]-1-benzopyran-2-one; Angelicin (coumarin derivative); 2H-Furo(2,3-H)-1-benzopyran-2-one; Furo(5',4':7,8)coumarin; 4-Hydroxy-5-benzofuranacrylic acid gamma-lactone; CZZ080D7BD; DTXSID00200321; 3-(4-Hydroxy-5-benzofuranyl)-2-propenoic acid gamma-lactone; Angelicin plus ultraviolet A radiation; NSC-404563; Furo[5',4':7,8]coumarin

Frequently Asked Questions

What are the CAS number and molecular formula of isopsoralen?

CAS 523-50-2; molecular formula C11H6O3; molecular weight — g/mol.

What other names is isopsoralen known by?

Angelicin, 523-50-2, ISOPSORALEN, Angecin, Furo(2,3-h)coumarin, 2H-Furo[2,3-H]-1-benzopyran-2-one.

Is isopsoralen classified as hazardous?

Hazard statements reported: H302, H312, H315, H319, H332.

What are the key physical properties of isopsoralen?

Boiling Point: 360.00 to 362.00 °C. @ 760.00 mm Hg; Melting Point: 140 °C; Melting Point: 138 - 139.5 °C; Solubility: In water, 20 mg/L.

Facts on this page are taken from PubChem (US National Library of Medicine) and Wikidata. Grade-specific data — assay, moisture, particle size, packaging, shelf life — is issued per batch on the COA and is not published here.