Hydrastine | CAS No. 118-08-1

Hydrastine

Basic Information

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CAS Number

118-08-1

Molecular Formula

C21H21NO6

Molecular Weight

383.4 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Melting Point

132 ºC

Boiling Point

510.32°C (rough estimate)

Flash Point

285.7°C

Refractive Index

1.5614 (estimate)

Specific Rotation

D20 -50° (c = 0.3 in abs alc)

SMILES

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CN1CCC2=CC3=C(C=C2C1C4C5=C(C(=C(C=C5)OC)OC)C(=O)O4)OCO3

InChI

InChI=1S/C21H21NO6/c1-22-7-6-11-8-15-16(27-10-26-15)9-13(11)18(22)19-12-4-5-14(24-2)20(25-3)17(12)21(23)28-19/h4-5,8-9,18-19H,6-7,10H2,1-3H3/t18-,19+/m1/s1

InChIKey

JZUTXVTYJDCMDU-MOPGFXCFSA-N

LogP

2.8732000000000015

pKa

7.8(at 25℃)

Topological Polar Surface Area

66.46000000000001 Å²

Hydrogen Bond Donor/Acceptor

0 / 7

Complexity

601

Safety Information

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Hazard Class

Class 6.1(b) Class 6.1(b)

Synonyms & References

English

(-)-B-Hydrastine
BDBM50027777
TNP00262
8890V3217X
(1R,9S)-(-)- beta -Hydrastine
(-)-.BETA.-Hydrastine
CHEMBL1256919
BSPBio_000422
HYDRASTINE (USP-RS)
CAS-118-08-1
3-((5R)-6-methyl(5,6,7,8-tetrahydro-2H-1,3-dioxoleno[4,5-g]isoquinolin-5-yl))( 3S)-6,7-dimethoxy-3-hydroisobenzofuran-1-one
Tox21_200686
SPBio_002641
(S)-6,7-dimethoxy-3-((R)-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)isobenzofuran-1(3H)-one
beta-Hydrastine
NSC646664
BRD-K02715688-001-01-3
HY-B0927
HYDRASTINE [MI]
DTXCID905409
(1R,9S)-beta-Hydrastine
(S)-6,7-DIMETHOXY-3-(R)-(6-METHYL-5,6,7,8-TETRAHYDRO-(1,3)DIOXOLO(4,5-G)ISOQUINOLIN-5-YL)ISOBENZOFURAN-1(3H)-ONE
HYDRASTINE [USP-RS]
HYDRASTINE (CONSTITUENT OF GOLDENSEAL) [DSC]
DTXSID9025409
6,7-dimethoxy-3-[(5R)-5,6,7,8-tetrahydro-6-methyl-1,3-dioxolo[4,5-g]isoquinolin-5-yl]-, (3S)-
(3S)-6,7-dimethoxy-3-[(5R)-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-3H-2-benzofuran-1-one
Hydrastin
Pharmakon1600-01500687
CCG-208523
HYDRASTINE (1R, 9S)

MDL Number

MFCD00152561

FAQ

What are the physical and chemical properties of Hydrastine (CAS: 118-08-1)?

Hydrastine (CAS: 118-08-1) is a yellow, crystalline compound with a high molecular weight of approximately 415.84 g/mol. It has good solubility in ethanol and methanol but is poorly soluble in water. Hydrastine is relatively stable under normal conditions but shows limited reactivity with strong acids and bases. It is used in pharmaceutical applications due to its chemical stability and therapeutic properties.

How is Hydrastine (CAS: 118-08-1) typically synthesized?

Hydrastine (CAS: 118-08-1) is typically synthesized through the extraction and purification of berberine from plants like _Hydrastis canadensis_. The synthesis involves multiple steps including extraction, purification, and crystallization. Common solvents used include ethanol and methanol. The yield is generally around 0.5-1.5% from the raw plant material.

What industries use Hydrastine (CAS: 118-08-1)?

Hydrastine (CAS: 118-08-1) is widely used in the pharmaceutical industry for its anti-inflammatory and antimicrobial properties. It is also utilized in the food industry as a natural food coloring and flavor enhancer. Additionally, it has applications in the cosmetic and agricultural industries as a natural pesticide and fungicide.

What precautions should be taken when handling Hydrastine (CAS: 118-08-1)?

When handling Hydrastine (CAS: 118-08-1), it is important to wear protective gloves, goggles, and a lab coat to prevent skin and eye contact. It should be stored in a cool, dry place away from direct sunlight and moisture. Fume hoods should be used during operations to minimize inhalation. In case of a spill, it is recommended to use personal protective equipment and follow the safety data sheet (SDS) guidelines for disposal.