(13S,13aR)-2,3,9,10-Tetramethoxy-13-methyl-5,8,13,13a-tetrahydro-6H-isoquinolino[3,2-a]isoquinoline

Basic Information

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CAS Number

518-69-4

Molecular Formula

C22H27NO4

Molecular Weight

369.46 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Basic Physical Properties

Physical State

Powder

Melting Point

135°

Boiling Point

499.57°C (rough estimate)

Solubility

,Methanol

Refractive Index

1.5614 (estimate)

Specific Rotation

D20 +311° (c = 0.8 in alc)

SMILES

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CC1C2C3=CC(=C(C=C3CCN2CC4=C1C=CC(=C4OC)OC)OC)OC

InChI

InChI=1S/C22H27NO4/c1-13-15-6-7-18(24-2)22(27-5)17(15)12-23-9-8-14-10-19(25-3)20(26-4)11-16(14)21(13)23/h6-7,10-11,13,21H,8-9,12H2,1-5H3/t13-,21+/m0/s1

InChIKey

VRSRXLJTYQVOHC-YEJXKQKISA-N

LogP

3.9375000000000027

Topological Polar Surface Area

40.160000000000004 Å²

Hydrogen Bond Donor/Acceptor

0 / 5

Complexity

503

Safety Information

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Storage Conditions

2-8℃

Toxicity

LD50 in mice (mg/kg): 135.5 ± 12.8 i.v. (Anderson, Chen)

Synonyms & References

English

08N392L8VX
Q15410920
Corydaline DL-form [MI]
DTXSID90199735
ACon1_000349
5-21-06-00173 (Beilstein Handbook Reference)
518-69-4
6H-Dibenzo(a,g)quinolizine, 5,8,13,13a-tetrahydro-2,3,9,10-tetramethoxy-13-methyl-, trans-(+/-)-
s9252
C-7350
Corydalin
BRN 0096972
2,3,9,10-tetramethoxy-13beta-methyl-13abeta-berbine
Berbine, 2,3,9,10-tetramethoxy-13beta-methyl-, (+/-)-
EX-A6789
6018-35-5
HY-N0923
UNII-6MUC9717YK
CHEMBL2165401
CORYDALINE [MI]
AC-35003
6H-DIBENZO(A,G)QUINOLIZINE, 5,8,13,13A-TETRAHYDRO-2,3,9,10-TETRAMETHOXY-13-METHYL-, (13S,13AR)-
13abeta-Berbine, 2,3,9,10-tetramethoxy-13alpha-methyl-
(+)-Corydaline;Corydalin
TCMDC-143075
(13S,13aR)-2,3,9,10-tetramethoxy-13-methyl-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline
CCG-208480
Corydalis A
SR-05000002225
SCHEMBL230676
Corydaline, (+/-)-

MDL Number

MFCD00076019

FAQ

What is (13S,13aR)-2,3,9,10-Tetramethoxy-13-methyl-5,8,13,13a-tetrahydro-6H-isoquinolino[3,2-a]isoquinoline (CAS: 518-69-4)?

This compound is a complex organic molecule with a fused isoquinoline ring system, featuring multiple methoxy and methyl substituents. Its IUPAC name indicates stereochemistry at positions 13S and 13aR, and it is classified as a tetrahydroisoquinoline derivative. The chemical formula is not provided, but its structure suggests potential applications in pharmaceutical and research fields.

What are the main uses of (13S,13aR)-2,3,9,10-Tetramethoxy-13-methyl-5,8,13,13a-tetrahydro-6H-isoquinolino[3,2-a]isoquinoline (CAS: 518-69-4)?

This compound is primarily used in pharmaceutical research as a potential drug candidate or intermediate. Its unique structure may be explored for biological activities, including neuropharmacological properties. It is also utilized in organic synthesis and chemical studies to develop new materials or compounds with specific functional groups.

Is (13S,13aR)-2,3,9,10-Tetramethoxy-13-methyl-5,8,13,13a-tetrahydro-6H-isoquinolino[3,2-a]isoquinoline (CAS: 518-69-4) safe?

Safety data for this compound is limited, but as a chemical with complex functional groups, it may require caution during handling. It is advisable to follow standard safety protocols, including use of personal protective equipment (PPE) and proper ventilation. Specific toxicity and handling guidelines should be confirmed with the manufacturer's safety data sheet (SDS).

How should (13S,13aR)-2,3,9,10-Tetramethoxy-13-methyl-5,8,13,13a-tetrahydro-6H-isoquinolino[3,2-a]isoquinoline (CAS: 518-69-4) be stored?

This compound should be stored in a cool, dry, and dark environment to maintain stability. It is recommended to keep it in a sealed container away from air and moisture. Storage conditions may vary based on its specific chemical properties, so adherence to manufacturer guidelines is essential for optimal preservation.